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CAS 19482-11-2 4-CHLORO-4′-METHYL-1,1′-BIPHENYL molecular structure lightbox
CAS RN: 19482-11-2

4-CHLORO-4′-METHYL-1,1′-BIPHENYL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251016 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS19482-11-2
  • Purity/Analytical Methods: >99.0%
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19482-11-2 / 1-chloro-4-(4-methylphenyl)benzene

Standard CAS: 19482-11-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19482-11-2
Multi CAS
No
Molecular Formula
C13H11Cl
Molecular Weight
202.680000
Exact Mass
202.054928
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11Cl/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3
InChIKey
XYOKCUNCQZYSPK-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
5
Consensus LogP
4.37
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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