BAS 02239697
TL;DR: BAS 02239697 (CAS 470680-62-7) is a chemical compound with molecular formula C23H23N3O6S and molecular weight 469.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(4-ethoxycarbonylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: BAS 02239697, (Z)-3-(2-((4-(ethoxycarbonyl)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 3-({[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-ethyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, 3-[(2-{[4-(ethoxycarbonyl)phenyl]azamethylene}-3-ethyl-4-oxo-1,3-thiazaperhydr oin-6-yl)carbonylamino]benzoic acid, 3-[[2-(4-ethoxycarbonylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C23H23N3O6S |
|---|---|
| Molecular Weight | 469.13 g/mol |
| LogP | 3.5417 |
| Topological Polar Surface Area | 125.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.13077 |
| Heavy Atoms | 33 |
| Complexity | 1099.6305 |
Chemical Identifiers
| CAS Number | 470680-62-7 |
|---|---|
| SMILES | CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OCC)C(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
BAS 02239697 (CAS 470680-62-7), with molecular formula C23H23N3O6S and molecular weight 469.13 g/mol. IUPAC: 3-[[2-(4-ethoxycarbonylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of BAS 02239697
Property Insights of BAS 02239697
The XLogP value of 3.5417 indicates that BAS 02239697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02239697. Following Lipinski's Rule of Five, BAS 02239697 has 2 hydrogen bond donor(s) and 7 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 02239697?
The CAS number of BAS 02239697 is 470680-62-7.
What is the molecular formula of BAS 02239697?
The molecular formula of BAS 02239697 is C23H23N3O6S.
What is the molecular weight of BAS 02239697?
The molecular weight of BAS 02239697 is 469.13 g/mol.
Where can I buy BAS 02239697?
You can request a quote for BAS 02239697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02239697?
Yes, KEHONG BIO provides custom synthesis services for BAS 02239697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.