A3211/0136190
TL;DR: A3211/0136190 (CAS 522649-87-2) is a chemical compound with molecular formula C26H21F2N3O4S and molecular weight 509.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[2-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A3211/0136190, (Z)-4-(3-(4-fluorophenethyl)-2-((2-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[({(2Z)-3-[2-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, 4-[(2Z)-3-[2-(4-FLUOROPHENYL)ETHYL]-2-[(2-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID, 4-[[3-[2-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C26H21F2N3O4S |
|---|---|
| Molecular Weight | 509.12 g/mol |
| LogP | 4.866 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.12207 |
| Heavy Atoms | 36 |
| Complexity | 1313.5244 |
Chemical Identifiers
| CAS Number | 522649-87-2 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2F)N(C1=O)CCC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
A3211/0136190 (CAS 522649-87-2), with molecular formula C26H21F2N3O4S and molecular weight 509.12 g/mol. IUPAC: 4-[[3-[2-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of A3211/0136190
Property Insights of A3211/0136190
The XLogP value of 4.866 indicates that A3211/0136190 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A3211/0136190. Following Lipinski's Rule of Five, A3211/0136190 has 2 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 A3211/0136190?
The CAS number of A3211/0136190 is 522649-87-2.
What is the molecular formula of A3211/0136190?
The molecular formula of A3211/0136190 is C26H21F2N3O4S.
What is the molecular weight of A3211/0136190?
The molecular weight of A3211/0136190 is 509.12 g/mol.
Where can I buy A3211/0136190?
You can request a quote for A3211/0136190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3211/0136190?
Yes, KEHONG BIO provides custom synthesis services for A3211/0136190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.