A3222/0136736
TL;DR: A3222/0136736 (CAS 522650-25-5) is a chemical compound with molecular formula C27H25ClFN3O3S and molecular weight 525.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)imino-N-(3-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: A3222/0136736, (2Z)-2-[(4-chlorophenyl)imino]-N-(3-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-2-((4-chlorophenyl)imino)-N-(3-ethoxyphenyl)-3-(4-fluorophenethyl)-4-oxo-1,3-thiazinane-6-carboxamide, (2E)-2-[(4-CHLOROPHENYL)IMINO]-N-(3-ETHOXYPHENYL)-3-[2-(4-FLUOROPHENYL)ETHYL]-4-OXO-13-THIAZINANE-6-CARBOXAMIDE, 2-(4-chlorophenyl)imino-N-(3-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C27H25ClFN3O3S |
|---|---|
| Molecular Weight | 525.13 g/mol |
| LogP | 6.0808 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.1289 |
| Heavy Atoms | 36 |
| Complexity | 1251.8785 |
Chemical Identifiers
| CAS Number | 522650-25-5 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)Cl)S2)CCC4=CC=C(C=C4)F |
Product Overview
A3222/0136736 (CAS 522650-25-5), with molecular formula C27H25ClFN3O3S and molecular weight 525.13 g/mol. IUPAC: 2-(4-chlorophenyl)imino-N-(3-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A3222/0136736
Property Insights of A3222/0136736
The XLogP value of 6.0808 indicates that A3222/0136736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3222/0136736. Following Lipinski's Rule of Five, A3222/0136736 has 1 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 A3222/0136736?
The CAS number of A3222/0136736 is 522650-25-5.
What is the molecular formula of A3222/0136736?
The molecular formula of A3222/0136736 is C27H25ClFN3O3S.
What is the molecular weight of A3222/0136736?
The molecular weight of A3222/0136736 is 525.13 g/mol.
Where can I buy A3222/0136736?
You can request a quote for A3222/0136736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3222/0136736?
Yes, KEHONG BIO provides custom synthesis services for A3222/0136736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.