[email protected]
CAS 1261739-69-8 2-chloro-2′-(trifluoromethyl)biphenyl-3-amine molecular structure lightbox
CAS RN: 1261739-69-8

2-chloro-2′-(trifluoromethyl)biphenyl-3-amine

Product Availability

Choose a grade to view its available package options.

4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 100mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 100mg Out of stock Inquiry
Batchno.20260105 1g Out of stock Inquiry
Batchno.20250607 250mg Out of stock Inquiry
  • Product code: SSC-032839
GET A QUOTE
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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1261739-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1261739-69-8 / 2-chloro-3-[2-(trifluoromethyl)phenyl]aniline

Standard CAS: 1261739-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261739-69-8
Multi CAS
No
Molecular Formula
C13H9ClF3N
Molecular Weight
271.660000
Exact Mass
271.037562
SMILES
C1=CC=C(C(=C1)C2=C(C(=CC=C2)N)Cl)C(F)(F)F
InChI
InChI=1S/C13H9ClF3N/c14-12-9(5-3-7-11(12)18)8-4-1-2-6-10(8)13(15,16)17/h1-7H,18H2
InChIKey
MZUSHHVUWWMCIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.3
TPSA
26.02

LogP / Solubility

WLOGP
4.61
MLOGP
4.06
XLogP3
4.4
Consensus LogP
4.36
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11

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