BAS 00312502
TL;DR: BAS 00312502 (CAS 315239-50-0) is a chemical compound with molecular formula C12H6Cl3F3N4O3S and molecular weight 447.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-3-(4,6-dichloropyrimidin-2-yl)urea
Also Known As: BAS 00312502, 1-(2-chloro-5-((trifluoromethyl)sulfonyl)phenyl)-3-(4,6-dichloropyrimidin-2-yl)urea, F1472-0151, 1-(2-chloro-5-trifluoromethanesulfonylphenyl)-3-(4,6-dichloropyrimidin-2-yl)urea, 1-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-3-(4,6-dichloropyrimidin-2-yl)urea
| Molecular Formula | C12H6Cl3F3N4O3S |
|---|---|
| Molecular Weight | 447.92 g/mol |
| LogP | 4.3743 |
| Topological Polar Surface Area | 101.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.91782 |
| Heavy Atoms | 26 |
| Complexity | 949.6733 |
Chemical Identifiers
| CAS Number | 315239-50-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)NC(=O)NC2=NC(=CC(=N2)Cl)Cl)Cl |
Product Overview
BAS 00312502 (CAS 315239-50-0), with molecular formula C12H6Cl3F3N4O3S and molecular weight 447.92 g/mol. IUPAC: 1-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-3-(4,6-dichloropyrimidin-2-yl)urea.
Chemical Property Profile of BAS 00312502
Property Insights of BAS 00312502
The XLogP value of 4.3743 indicates that BAS 00312502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00312502. Following Lipinski's Rule of Five, BAS 00312502 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00312502?
The CAS number of BAS 00312502 is 315239-50-0.
What is the molecular formula of BAS 00312502?
The molecular formula of BAS 00312502 is C12H6Cl3F3N4O3S.
What is the molecular weight of BAS 00312502?
The molecular weight of BAS 00312502 is 447.92 g/mol.
Where can I buy BAS 00312502?
You can request a quote for BAS 00312502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00312502?
Yes, KEHONG BIO provides custom synthesis services for BAS 00312502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.