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CAS 35714-19-3 3-Benzylbenzyl alcohol molecular structure lightbox
CAS RN: 35714-19-3

3-Benzylbenzyl alcohol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260405 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35714-19-3
  • Purity/Analytical Methods: >99.0%
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35714-19-3 / (3-benzylphenyl)methanol

Standard CAS: 35714-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35714-19-3
Multi CAS
No
Molecular Formula
C14H14O
Molecular Weight
198.260000
Exact Mass
198.104465
InChI
InChI=1S/C14H14O/c15-11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2
InChIKey
ISKVDROBICOSMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.61
TPSA
20.23

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
3
Consensus LogP
2.74
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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