BAS 02281136
TL;DR: BAS 02281136 (CAS 470453-10-2) is a chemical compound with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: BAS 02281136, (Z)-4-(2-((4-ethoxyphenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid, 4-[({(2Z)-2-[(4-ethoxyphenyl)imino]-3-ethyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
| Molecular Formula | C22H23N3O5S |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 3.7637 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.13583 |
| Heavy Atoms | 31 |
| Complexity | 989.2109 |
Chemical Identifiers
| CAS Number | 470453-10-2 |
|---|---|
| SMILES | CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)OCC)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
BAS 02281136 (CAS 470453-10-2), with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol. IUPAC: 4-[[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of BAS 02281136
Property Insights of BAS 02281136
The XLogP value of 3.7637 indicates that BAS 02281136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02281136. Following Lipinski's Rule of Five, BAS 02281136 has 2 hydrogen bond donor(s) and 6 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 02281136?
The CAS number of BAS 02281136 is 470453-10-2.
What is the molecular formula of BAS 02281136?
The molecular formula of BAS 02281136 is C22H23N3O5S.
What is the molecular weight of BAS 02281136?
The molecular weight of BAS 02281136 is 441.14 g/mol.
Where can I buy BAS 02281136?
You can request a quote for BAS 02281136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02281136?
Yes, KEHONG BIO provides custom synthesis services for BAS 02281136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.