A3211/0136198
TL;DR: A3211/0136198 (CAS 522649-98-5) is a chemical compound with molecular formula C27H26FN3O3S and molecular weight 491.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
Also Known As: A3211/0136198, (2Z)-N-(3-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide, (2Z)-N-(3-ETHOXYPHENYL)-3-[2-(4-FLUOROPHENYL)ETHYL]-4-OXO-2-(PHENYLIMINO)-13-THIAZINANE-6-CARBOXAMIDE, (Z)-N-(3-ethoxyphenyl)-3-(4-fluorophenethyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide, N-(3-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
| Molecular Formula | C27H26FN3O3S |
|---|---|
| Molecular Weight | 491.17 g/mol |
| LogP | 5.4274 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.16788 |
| Heavy Atoms | 35 |
| Complexity | 1201.8081 |
Chemical Identifiers
| CAS Number | 522649-98-5 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CCC4=CC=C(C=C4)F |
Product Overview
A3211/0136198 (CAS 522649-98-5), with molecular formula C27H26FN3O3S and molecular weight 491.17 g/mol. IUPAC: N-(3-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A3211/0136198
Property Insights of A3211/0136198
The XLogP value of 5.4274 indicates that A3211/0136198 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3211/0136198. Following Lipinski's Rule of Five, A3211/0136198 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3211/0136198?
The CAS number of A3211/0136198 is 522649-98-5.
What is the molecular formula of A3211/0136198?
The molecular formula of A3211/0136198 is C27H26FN3O3S.
What is the molecular weight of A3211/0136198?
The molecular weight of A3211/0136198 is 491.17 g/mol.
Where can I buy A3211/0136198?
You can request a quote for A3211/0136198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3211/0136198?
Yes, KEHONG BIO provides custom synthesis services for A3211/0136198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.