2J-942
TL;DR: 2J-942 (CAS 338772-83-1) is a chemical compound with molecular formula C21H17ClF6N6O and molecular weight 518.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 2J-942, N-{2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]-3-pyridinyl}-N'-[3-(trifluoromethyl)phenyl]urea, 1-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea, 3-{2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]pyridin-3-yl}-1-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C21H17ClF6N6O |
|---|---|
| Molecular Weight | 518.11 g/mol |
| LogP | 6.3356 |
| Topological Polar Surface Area | 90.97 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.10565 |
| Heavy Atoms | 35 |
| Complexity | 1187.452 |
Chemical Identifiers
| CAS Number | 338772-83-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC2=C(N=CC=C2)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl)C(F)(F)F |
Product Overview
2J-942 (CAS 338772-83-1), with molecular formula C21H17ClF6N6O and molecular weight 518.11 g/mol. IUPAC: 1-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 2J-942
Property Insights of 2J-942
The XLogP value of 6.3356 indicates that 2J-942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2J-942. Following Lipinski's Rule of Five, 2J-942 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2J-942?
The CAS number of 2J-942 is 338772-83-1.
What is the molecular formula of 2J-942?
The molecular formula of 2J-942 is C21H17ClF6N6O.
What is the molecular weight of 2J-942?
The molecular weight of 2J-942 is 518.11 g/mol.
Where can I buy 2J-942?
You can request a quote for 2J-942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-942?
Yes, KEHONG BIO provides custom synthesis services for 2J-942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.