[email protected]
CAS 811842-60-1 3′-CHLORO-BIPHENYL-4-YLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 811842-60-1

3′-CHLORO-BIPHENYL-4-YLAMINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260530 100mg In stock Shanghai Inquiry
Batchno.20251009 1g In stock Shanghai Inquiry
Batchno.20250321 250mg In stock Shanghai Inquiry
Batchno.20260324 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS811842-60-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

811842-60-1 / 4-(3-chlorophenyl)aniline;hydrochloride

Standard CAS: 811842-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
811842-60-1
Multi CAS
No
Molecular Formula
C12H11CL2N
Molecular Weight
240.120000
Exact Mass
239.026855
InChI
InChI=1S/C12H10ClN.ClH/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9;/h1-8H,14H2;1H
InChIKey
WWGPJDCVGOVAOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.55
TPSA
26.02

LogP / Solubility

WLOGP
4.01
MLOGP
3.53
XLogP3
4.01
Consensus LogP
3.85
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us