A3212/0136224
TL;DR: A3212/0136224 (CAS 522650-13-1) is a chemical compound with molecular formula C28H28FN3O5S and molecular weight 537.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: A3212/0136224, (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-3-(3,4-dimethoxyphenethyl)-2-((2-fluorophenyl)imino)-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C28H28FN3O5S |
|---|---|
| Molecular Weight | 537.17 g/mol |
| LogP | 5.0545 |
| Topological Polar Surface Area | 89.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 537.17334 |
| Heavy Atoms | 38 |
| Complexity | 1332.3193 |
Chemical Identifiers
| CAS Number | 522650-13-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3F)S2)CCC4=CC(=C(C=C4)OC)OC |
Product Overview
A3212/0136224 (CAS 522650-13-1), with molecular formula C28H28FN3O5S and molecular weight 537.17 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A3212/0136224
Property Insights of A3212/0136224
The XLogP value of 5.0545 indicates that A3212/0136224 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 A3212/0136224. Following Lipinski's Rule of Five, A3212/0136224 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 A3212/0136224?
The CAS number of A3212/0136224 is 522650-13-1.
What is the molecular formula of A3212/0136224?
The molecular formula of A3212/0136224 is C28H28FN3O5S.
What is the molecular weight of A3212/0136224?
The molecular weight of A3212/0136224 is 537.17 g/mol.
Where can I buy A3212/0136224?
You can request a quote for A3212/0136224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3212/0136224?
Yes, KEHONG BIO provides custom synthesis services for A3212/0136224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.