9R-0315
TL;DR: 9R-0315 (CAS 478249-50-2) is a chemical compound with molecular formula C21H13ClF3N3OS and molecular weight 447.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-3-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]urea
Also Known As: 9R-0315, N-(2-chlorophenyl)-N'-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)urea, 1-(2-chlorophenyl)-3-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]urea, 1-(2-chlorophenyl)-3-(5-cyano-2-{[3-(trifluoromethyl)phenyl]sulfanyl}phenyl)urea, 3-(2-chlorophenyl)-1-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]urea
| Molecular Formula | C21H13ClF3N3OS |
|---|---|
| Molecular Weight | 447.04 g/mol |
| LogP | 7.02568 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.042 |
| Heavy Atoms | 30 |
| Complexity | 1128.9648 |
Chemical Identifiers
| CAS Number | 478249-50-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)NC2=C(C=CC(=C2)C#N)SC3=CC=CC(=C3)C(F)(F)F)Cl |
Product Overview
9R-0315 (CAS 478249-50-2), with molecular formula C21H13ClF3N3OS and molecular weight 447.04 g/mol. IUPAC: 1-(2-chlorophenyl)-3-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]urea.
Chemical Property Profile of 9R-0315
Property Insights of 9R-0315
The XLogP value of 7.02568 indicates that 9R-0315 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 9R-0315. Following Lipinski's Rule of Five, 9R-0315 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9R-0315?
The CAS number of 9R-0315 is 478249-50-2.
What is the molecular formula of 9R-0315?
The molecular formula of 9R-0315 is C21H13ClF3N3OS.
What is the molecular weight of 9R-0315?
The molecular weight of 9R-0315 is 447.04 g/mol.
Where can I buy 9R-0315?
You can request a quote for 9R-0315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9R-0315?
Yes, KEHONG BIO provides custom synthesis services for 9R-0315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.