[email protected]
CAS 34207-44-8 4-CHLORO-3,5-DIAMINOBENZOTRIFLUORIDE molecular structure lightbox
CAS RN: 34207-44-8

4-CHLORO-3,5-DIAMINOBENZOTRIFLUORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260225 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS34207-44-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

34207-44-8 / 2-chloro-5-(trifluoromethyl)benzene-1,3-diamine

Standard CAS: 34207-44-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34207-44-8
Multi CAS
No
Molecular Formula
C7H6CLF3N2
Molecular Weight
210.580000
Exact Mass
210.017160
InChI
InChI=1S/C7H6ClF3N2/c8-6-4(12)1-3(2-5(6)13)7(9,10)11/h1-2H,12-13H2
InChIKey
YCWXOQCYLKOSKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.28
TPSA
52.04

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.1
Consensus LogP
2.28
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

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