A3211/0136196
TL;DR: A3211/0136196 (CAS 522649-94-1) is a chemical compound with molecular formula C27H26FN3O4S and molecular weight 507.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-ethoxyphenyl)-2-(2-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: A3211/0136196, (2Z)-N-(3-ethoxyphenyl)-2-[(2-fluorophenyl)imino]-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamide, (2Z)-N-(3-ETHOXYPHENYL)-2-[(2-FLUOROPHENYL)IMINO]-3-[(4-METHOXYPHENYL)METHYL]-4-OXO-1,3-THIAZINANE-6-CARBOXAMIDE, (2Z)-N-(3-ETHOXYPHENYL)-2-[(2-FLUOROPHENYL)IMINO]-3-[(4-METHOXYPHENYL)METHYL]-4-OXO-13-THIAZINANE-6-CARBOXAMIDE, (Z)-N-(3-ethoxyphenyl)-2-((2-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C27H26FN3O4S |
|---|---|
| Molecular Weight | 507.16 g/mol |
| LogP | 5.3935 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.1628 |
| Heavy Atoms | 36 |
| Complexity | 1265.8834 |
Chemical Identifiers
| CAS Number | 522649-94-1 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3F)S2)CC4=CC=C(C=C4)OC |
Product Overview
A3211/0136196 (CAS 522649-94-1), with molecular formula C27H26FN3O4S and molecular weight 507.16 g/mol. IUPAC: N-(3-ethoxyphenyl)-2-(2-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A3211/0136196
Property Insights of A3211/0136196
The XLogP value of 5.3935 indicates that A3211/0136196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for A3211/0136196. Following Lipinski's Rule of Five, A3211/0136196 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3211/0136196?
The CAS number of A3211/0136196 is 522649-94-1.
What is the molecular formula of A3211/0136196?
The molecular formula of A3211/0136196 is C27H26FN3O4S.
What is the molecular weight of A3211/0136196?
The molecular weight of A3211/0136196 is 507.16 g/mol.
Where can I buy A3211/0136196?
You can request a quote for A3211/0136196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3211/0136196?
Yes, KEHONG BIO provides custom synthesis services for A3211/0136196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.