A3212/0136225
TL;DR: A3212/0136225 (CAS 522650-14-2) is a chemical compound with molecular formula C27H25ClFN3O4S and molecular weight 541.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: A3212/0136225, (2Z)-N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-N-(3-chlorophenyl)-3-(3,4-dimethoxyphenethyl)-2-((2-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamide, N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C27H25ClFN3O4S |
|---|---|
| Molecular Weight | 541.12 g/mol |
| LogP | 5.6993 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.12384 |
| Heavy Atoms | 37 |
| Complexity | 1336.5083 |
Chemical Identifiers
| CAS Number | 522650-14-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=CC=C3F)C(=O)NC4=CC(=CC=C4)Cl)OC |
Product Overview
A3212/0136225 (CAS 522650-14-2), with molecular formula C27H25ClFN3O4S and molecular weight 541.12 g/mol. IUPAC: N-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A3212/0136225
Property Insights of A3212/0136225
The XLogP value of 5.6993 indicates that A3212/0136225 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for A3212/0136225. Following Lipinski's Rule of Five, A3212/0136225 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3212/0136225?
The CAS number of A3212/0136225 is 522650-14-2.
What is the molecular formula of A3212/0136225?
The molecular formula of A3212/0136225 is C27H25ClFN3O4S.
What is the molecular weight of A3212/0136225?
The molecular weight of A3212/0136225 is 541.12 g/mol.
Where can I buy A3212/0136225?
You can request a quote for A3212/0136225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3212/0136225?
Yes, KEHONG BIO provides custom synthesis services for A3212/0136225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.