A3211/0136185
TL;DR: A3211/0136185 (CAS 522649-83-8) is a chemical compound with molecular formula C27H24FN3O5S and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: A3211/0136185, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-((2-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamide, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide, (2Z)-3-[(2H-13-BENZODIOXOL-5-YL)METHYL]-N-(4-ETHOXYPHENYL)-2-[(2-FLUOROPHENYL)IMINO]-4-OXO-13-THIAZINANE-6-CARBOXAMIDE, 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C27H24FN3O5S |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 5.1136 |
| Topological Polar Surface Area | 89.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.1421 |
| Heavy Atoms | 37 |
| Complexity | 1348.1232 |
Chemical Identifiers
| CAS Number | 522649-83-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3F)S2)CC4=CC5=C(C=C4)OCO5 |
Product Overview
A3211/0136185 (CAS 522649-83-8), with molecular formula C27H24FN3O5S and molecular weight 521.14 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A3211/0136185
Property Insights of A3211/0136185
The XLogP value of 5.1136 indicates that A3211/0136185 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.46 Ų falls within the moderate polarity range, balancing permeability and solubility for A3211/0136185. Following Lipinski's Rule of Five, A3211/0136185 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 A3211/0136185?
The CAS number of A3211/0136185 is 522649-83-8.
What is the molecular formula of A3211/0136185?
The molecular formula of A3211/0136185 is C27H24FN3O5S.
What is the molecular weight of A3211/0136185?
The molecular weight of A3211/0136185 is 521.14 g/mol.
Where can I buy A3211/0136185?
You can request a quote for A3211/0136185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3211/0136185?
Yes, KEHONG BIO provides custom synthesis services for A3211/0136185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.