CAS RN: 56970-25-3
6-Chloro-biphenyl-3-ylamine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS56970-25-3
- Purity/Analytical Methods: >99.0%
56970-25-3 / 4-chloro-3-phenylaniline
Basic Information
CAS
56970-25-3
Multi CAS
No
Molecular Formula
C12H10CLN
Molecular Weight
203.670000
Exact Mass
203.050177
InChI
InChI=1S/C12H10ClN/c13-12-7-6-10(14)8-11(12)9-4-2-1-3-5-9/h1-8H,14H2
InChIKey
BSDFOSUPRZEWQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.3
TPSA
26.02
LogP / Solubility
WLOGP
3.59
MLOGP
3.16
XLogP3
3.9
Consensus LogP
3.55
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41
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
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