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CAS 13395-67-0 3-CHLORO-4′-METHYLBENZHYDROL molecular structure lightbox
CAS RN: 13395-67-0

3-CHLORO-4′-METHYLBENZHYDROL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-041068
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13395-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

13395-67-0 / (3-chlorophenyl)-(4-methylphenyl)methanol

Standard CAS: 13395-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13395-67-0
Multi CAS
No
Molecular Formula
C14H13ClO
Molecular Weight
232.700000
Exact Mass
232.065493
SMILES
CC1=CC=C(C=C1)C(C2=CC(=CC=C2)Cl)O
InChI
InChI=1S/C14H13ClO/c1-10-5-7-11(8-6-10)14(16)12-3-2-4-13(15)9-12/h2-9,14,16H,1H3
InChIKey
RYQYUYPWBNYUNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.69
TPSA
20.23

LogP / Solubility

WLOGP
3.73
MLOGP
3.29
XLogP3
4.1
Consensus LogP
3.71
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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