1J-036
TL;DR: 1J-036 (CAS 477864-66-7) is a chemical compound with molecular formula C18H12Cl2F3N5O and molecular weight 441.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]urea
Also Known As: 1J-036, N-(4-chlorophenyl)-N'-(6-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-pyridinyl)urea, 1-(4-chlorophenyl)-3-[6-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]urea, 3-(6-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-1-(4-chlorophenyl)urea, 3-(4-chlorophenyl)-1-[6-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]urea
| Molecular Formula | C18H12Cl2F3N5O |
|---|---|
| Molecular Weight | 441.04 g/mol |
| LogP | 6.1898 |
| Topological Polar Surface Area | 78.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.0371 |
| Heavy Atoms | 29 |
| Complexity | 1028.7504 |
Chemical Identifiers
| CAS Number | 477864-66-7 |
|---|---|
| SMILES | C1=CC(=NC(=C1)NC(=O)NC2=CC=C(C=C2)Cl)NC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1J-036 (CAS 477864-66-7), with molecular formula C18H12Cl2F3N5O and molecular weight 441.04 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]urea.
Chemical Property Profile of 1J-036
Property Insights of 1J-036
The XLogP value of 6.1898 indicates that 1J-036 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-036. Following Lipinski's Rule of Five, 1J-036 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-036?
The CAS number of 1J-036 is 477864-66-7.
What is the molecular formula of 1J-036?
The molecular formula of 1J-036 is C18H12Cl2F3N5O.
What is the molecular weight of 1J-036?
The molecular weight of 1J-036 is 441.04 g/mol.
Where can I buy 1J-036?
You can request a quote for 1J-036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1J-036?
Yes, KEHONG BIO provides custom synthesis services for 1J-036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.