1J-021
TL;DR: 1J-021 (CAS 477864-64-5) is a chemical compound with molecular formula C18H13ClF3N5O and molecular weight 407.08 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-phenylurea
Also Known As: 1J-021, N-(6-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-pyridinyl)-N'-phenylurea, 3-(6-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-1-phenylurea, 1-[6-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-3-phenylurea, N-(6-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-N'-phenylurea
| Molecular Formula | C18H13ClF3N5O |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 5.5364 |
| Topological Polar Surface Area | 78.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.07608 |
| Heavy Atoms | 28 |
| Complexity | 982.45514 |
Chemical Identifiers
| CAS Number | 477864-64-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1J-021 (CAS 477864-64-5), with molecular formula C18H13ClF3N5O and molecular weight 407.08 g/mol. IUPAC: 1-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-3-phenylurea.
Chemical Property Profile of 1J-021
Property Insights of 1J-021
The XLogP value of 5.5364 indicates that 1J-021 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-021. Following Lipinski's Rule of Five, 1J-021 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-021?
The CAS number of 1J-021 is 477864-64-5.
What is the molecular formula of 1J-021?
The molecular formula of 1J-021 is C18H13ClF3N5O.
What is the molecular weight of 1J-021?
The molecular weight of 1J-021 is 407.08 g/mol.
Where can I buy 1J-021?
You can request a quote for 1J-021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1J-021?
Yes, KEHONG BIO provides custom synthesis services for 1J-021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.