1J-035
TL;DR: 1J-035 (CAS 477864-65-6) is a chemical compound with molecular formula C19H12ClF6N5O and molecular weight 475.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1J-035, N-(6-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]urea, 1-[6-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-3-[3-(trifluoromethyl)phenyl]urea, 3-(6-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C19H12ClF6N5O |
|---|---|
| Molecular Weight | 475.06 g/mol |
| LogP | 6.5552 |
| Topological Polar Surface Area | 78.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.06345 |
| Heavy Atoms | 32 |
| Complexity | 1135.6765 |
Chemical Identifiers
| CAS Number | 477864-65-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)C(F)(F)F |
Product Overview
1J-035 (CAS 477864-65-6), with molecular formula C19H12ClF6N5O and molecular weight 475.06 g/mol. IUPAC: 1-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1J-035
Property Insights of 1J-035
The XLogP value of 6.5552 indicates that 1J-035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1J-035. Following Lipinski's Rule of Five, 1J-035 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1J-035?
The CAS number of 1J-035 is 477864-65-6.
What is the molecular formula of 1J-035?
The molecular formula of 1J-035 is C19H12ClF6N5O.
What is the molecular weight of 1J-035?
The molecular weight of 1J-035 is 475.06 g/mol.
Where can I buy 1J-035?
You can request a quote for 1J-035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1J-035?
Yes, KEHONG BIO provides custom synthesis services for 1J-035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.