A3211/0136191
TL;DR: A3211/0136191 (CAS 522649-88-3) is a chemical compound with molecular formula C28H26FN3O5S and molecular weight 535.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(2-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: A3211/0136191, ethyl 4-({[(2Z)-2-[(2-fluorophenyl)imino]-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoate, (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, ETHYL 4-[(2Z)-2-[(2-FLUOROPHENYL)IMINO]-3-[(4-METHOXYPHENYL)METHYL]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOATE, ethyl 4-[[2-(2-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
| Molecular Formula | C28H26FN3O5S |
|---|---|
| Molecular Weight | 535.16 g/mol |
| LogP | 5.1715 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.1577 |
| Heavy Atoms | 38 |
| Complexity | 1345.3549 |
Chemical Identifiers
| CAS Number | 522649-88-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3F)S2)CC4=CC=C(C=C4)OC |
Product Overview
A3211/0136191 (CAS 522649-88-3), with molecular formula C28H26FN3O5S and molecular weight 535.16 g/mol. IUPAC: ethyl 4-[[2-(2-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of A3211/0136191
Property Insights of A3211/0136191
The XLogP value of 5.1715 indicates that A3211/0136191 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A3211/0136191. Following Lipinski's Rule of Five, A3211/0136191 has 1 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 A3211/0136191?
The CAS number of A3211/0136191 is 522649-88-3.
What is the molecular formula of A3211/0136191?
The molecular formula of A3211/0136191 is C28H26FN3O5S.
What is the molecular weight of A3211/0136191?
The molecular weight of A3211/0136191 is 535.16 g/mol.
Where can I buy A3211/0136191?
You can request a quote for A3211/0136191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3211/0136191?
Yes, KEHONG BIO provides custom synthesis services for A3211/0136191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.