[email protected]
CAS 105836-68-8 3,5-dichloro-N-phenylBenzenamine molecular structure lightbox
CAS RN: 105836-68-8

3,5-dichloro-N-phenylBenzenamine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS105836-68-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

105836-68-8 / 3,5-dichloro-N-phenylaniline

3,5-Dichloro-N-phenylaniline | Benzenamine, 3,5-dichloro-N-phenyl- | 3,5-dichloro-N-phenylBenzenamine

Standard CAS: 105836-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105836-68-8
Multi CAS
No
Molecular Formula
C12H9Cl2N
Molecular Weight
238.110000
Exact Mass
237.011205
SMILES
C1=CC=C(C=C1)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C12H9Cl2N/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h1-8,15H
InChIKey
RHCOKFKKJPTSKY-UHFFFAOYSA-N
Synonyms
3,5-Dichloro-N-phenylaniline Benzenamine, 3,5-dichloro-N-phenyl- 3,5-dichloro-N-phenylBenzenamine N-(3,5-Dichlorophenyl)aniline Diclofenac Impurity 21

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.19
TPSA
12.03

LogP / Solubility

WLOGP
4.74
MLOGP
4.17
XLogP3
4.7
Consensus LogP
4.54
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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)
-0.81

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us