BAS 02239137
TL;DR: BAS 02239137 (CAS 333327-80-3) is a chemical compound with molecular formula C19H16FN3O4S and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: BAS 02239137, 4-[({(2Z)-2-[(3-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(2-((3-fluorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[[2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid, 4-[({2-[(3-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
| Molecular Formula | C19H16FN3O4S |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 3.114 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.08456 |
| Heavy Atoms | 28 |
| Complexity | 961.906 |
Chemical Identifiers
| CAS Number | 333327-80-3 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC(=CC=C2)F)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
BAS 02239137 (CAS 333327-80-3), with molecular formula C19H16FN3O4S and molecular weight 401.08 g/mol. IUPAC: 4-[[2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of BAS 02239137
Property Insights of BAS 02239137
The XLogP value of 3.114 indicates that BAS 02239137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02239137. Following Lipinski's Rule of Five, BAS 02239137 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 02239137?
The CAS number of BAS 02239137 is 333327-80-3.
What is the molecular formula of BAS 02239137?
The molecular formula of BAS 02239137 is C19H16FN3O4S.
What is the molecular weight of BAS 02239137?
The molecular weight of BAS 02239137 is 401.08 g/mol.
Where can I buy BAS 02239137?
You can request a quote for BAS 02239137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02239137?
Yes, KEHONG BIO provides custom synthesis services for BAS 02239137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.