BAS 02239129
TL;DR: BAS 02239129 (CAS 333327-75-6) is a chemical compound with molecular formula C19H16ClN3O4S and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: BAS 02239129, (Z)-4-(2-((4-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[[2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid, 4-({2-[(4-chlorophenyl)azamethylene]-3-methyl-4-oxo-1,3-thiazaperhydroin-6-yl} carbonylamino)benzoic acid, 4-[({(2Z)-2-[(4-chlorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
| Molecular Formula | C19H16ClN3O4S |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 3.6283 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.055 |
| Heavy Atoms | 28 |
| Complexity | 944.656 |
Chemical Identifiers
| CAS Number | 333327-75-6 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
BAS 02239129 (CAS 333327-75-6), with molecular formula C19H16ClN3O4S and molecular weight 417.06 g/mol. IUPAC: 4-[[2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of BAS 02239129
Property Insights of BAS 02239129
The XLogP value of 3.6283 indicates that BAS 02239129 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 02239129. Following Lipinski's Rule of Five, BAS 02239129 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 02239129?
The CAS number of BAS 02239129 is 333327-75-6.
What is the molecular formula of BAS 02239129?
The molecular formula of BAS 02239129 is C19H16ClN3O4S.
What is the molecular weight of BAS 02239129?
The molecular weight of BAS 02239129 is 417.06 g/mol.
Where can I buy BAS 02239129?
You can request a quote for BAS 02239129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02239129?
Yes, KEHONG BIO provides custom synthesis services for BAS 02239129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.