BAS 03450598
TL;DR: BAS 03450598 (CAS 431980-31-3) is a chemical compound with molecular formula C12H9ClF3N3O2S and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
Also Known As: BAS 03450598, AB00118889-01, 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide, 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide, 2-amino-N-(2-chloro-5-(trifluoromethyl)phenyl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
| Molecular Formula | C12H9ClF3N3O2S |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 2.6441 |
| Topological Polar Surface Area | 84.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.0056 |
| Heavy Atoms | 22 |
| Complexity | 663.50684 |
Chemical Identifiers
| CAS Number | 431980-31-3 |
|---|---|
| SMILES | C1C(SC(=NC1=O)N)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl |
Product Overview
BAS 03450598 (CAS 431980-31-3), with molecular formula C12H9ClF3N3O2S and molecular weight 351.01 g/mol. IUPAC: 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.
Chemical Property Profile of BAS 03450598
Property Insights of BAS 03450598
The XLogP value of 2.6441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03450598. The TPSA of 84.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03450598. Following Lipinski's Rule of Five, BAS 03450598 has 2 hydrogen bond donor(s) and 4 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 03450598?
The CAS number of BAS 03450598 is 431980-31-3.
What is the molecular formula of BAS 03450598?
The molecular formula of BAS 03450598 is C12H9ClF3N3O2S.
What is the molecular weight of BAS 03450598?
The molecular weight of BAS 03450598 is 351.01 g/mol.
Where can I buy BAS 03450598?
You can request a quote for BAS 03450598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03450598?
Yes, KEHONG BIO provides custom synthesis services for BAS 03450598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.