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CAS 19482-17-8 4-Chloro-1-methyl-2-phenylbenzene molecular structure lightbox
CAS RN: 19482-17-8

4-Chloro-1-methyl-2-phenylbenzene

  • Product code: SSC-091881
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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 19482-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

19482-17-8 / 4-chloro-1-methyl-2-phenylbenzene

Standard CAS: 19482-17-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19482-17-8
Multi CAS
No
Molecular Formula
C13H11Cl
Molecular Weight
202.680000
Exact Mass
202.054928
SMILES
CC1=C(C=C(C=C1)Cl)C2=CC=CC=C2
InChI
InChI=1S/C13H11Cl/c1-10-7-8-12(14)9-13(10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
XQPZIHBHSJMJDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
Molar refractivity
61.63
TPSA
0.0000

LogP / Solubility

WLOGP
4.32
MLOGP
3.8
XLogP3
4.9
Consensus LogP
4.34
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
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)
-0.89

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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