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[ CAS No. 620-24-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 620-24-6
Chemical Structure| 620-24-6
Structure of 620-24-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 620-24-6 ]

CAS No. :620-24-6 MDL No. :MFCD00004643
Formula : C7H8O2 Boiling Point : -
Linear Structure Formula :- InChI Key :OKVJCVWFVRATSG-UHFFFAOYSA-N
M.W : 124.13 Pubchem ID :102
Synonyms :
Chemical Name :3-Hydroxybenzyl alcohol

Calculated chemistry of [ 620-24-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 34.59
TPSA : 40.46 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.31
Log Po/w (XLOGP3) : 0.49
Log Po/w (WLOGP) : 0.73
Log Po/w (MLOGP) : 0.88
Log Po/w (SILICOS-IT) : 1.22
Consensus Log Po/w : 0.92

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.35
Solubility : 5.6 mg/ml ; 0.0451 mol/l
Class : Very soluble
Log S (Ali) : -0.91
Solubility : 15.3 mg/ml ; 0.123 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.61
Solubility : 3.06 mg/ml ; 0.0247 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 620-24-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 620-24-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 620-24-6 ]
  • Downstream synthetic route of [ 620-24-6 ]

[ 620-24-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 620-24-6 ]
  • [ 2737-19-1 ]
  • [ 2316-63-4 ]
Reference： [1] Phytochemistry, 1994, vol. 37, # 2, p. 307 - 310
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