A3211/0136208
TL;DR: A3211/0136208 (CAS 519146-39-5) is a chemical compound with molecular formula C29H27N3O6S and molecular weight 545.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A3211/0136208, 4-({[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, (Z)-4-(2-((4-(ethoxycarbonyl)phenyl)imino)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[(2Z)-2-{[4-(ETHOXYCARBONYL)PHENYL]IMINO}-4-OXO-3-(2-PHENYLETHYL)-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID, 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C29H27N3O6S |
|---|---|
| Molecular Weight | 545.16 g/mol |
| LogP | 4.7645 |
| Topological Polar Surface Area | 125.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.16205 |
| Heavy Atoms | 39 |
| Complexity | 1374.3965 |
Chemical Identifiers
| CAS Number | 519146-39-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CCC4=CC=CC=C4 |
Product Overview
A3211/0136208 (CAS 519146-39-5), with molecular formula C29H27N3O6S and molecular weight 545.16 g/mol. IUPAC: 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of A3211/0136208
Property Insights of A3211/0136208
The XLogP value of 4.7645 indicates that A3211/0136208 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 A3211/0136208. Following Lipinski's Rule of Five, A3211/0136208 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3211/0136208?
The CAS number of A3211/0136208 is 519146-39-5.
What is the molecular formula of A3211/0136208?
The molecular formula of A3211/0136208 is C29H27N3O6S.
What is the molecular weight of A3211/0136208?
The molecular weight of A3211/0136208 is 545.16 g/mol.
Where can I buy A3211/0136208?
You can request a quote for A3211/0136208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3211/0136208?
Yes, KEHONG BIO provides custom synthesis services for A3211/0136208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.