A3211/0136194
TL;DR: A3211/0136194 (CAS 522649-91-8) is a chemical compound with molecular formula C28H24FN3O6S and molecular weight 549.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: A3211/0136194, (Z)-ethyl 4-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, ethyl 4-[({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoate, ETHYL 4-[(2Z)-3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-[(2-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOATE, ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
| Molecular Formula | C28H24FN3O6S |
|---|---|
| Molecular Weight | 549.14 g/mol |
| LogP | 4.8916 |
| Topological Polar Surface Area | 106.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.13696 |
| Heavy Atoms | 39 |
| Complexity | 1445.4658 |
Chemical Identifiers
| CAS Number | 522649-91-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3F)S2)CC4=CC5=C(C=C4)OCO5 |
Product Overview
A3211/0136194 (CAS 522649-91-8), with molecular formula C28H24FN3O6S and molecular weight 549.14 g/mol. IUPAC: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of A3211/0136194
Property Insights of A3211/0136194
The XLogP value of 4.8916 indicates that A3211/0136194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.53 Ų falls within the moderate polarity range, balancing permeability and solubility for A3211/0136194. Following Lipinski's Rule of Five, A3211/0136194 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3211/0136194?
The CAS number of A3211/0136194 is 522649-91-8.
What is the molecular formula of A3211/0136194?
The molecular formula of A3211/0136194 is C28H24FN3O6S.
What is the molecular weight of A3211/0136194?
The molecular weight of A3211/0136194 is 549.14 g/mol.
Where can I buy A3211/0136194?
You can request a quote for A3211/0136194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3211/0136194?
Yes, KEHONG BIO provides custom synthesis services for A3211/0136194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.