A2645/0112660
TL;DR: A2645/0112660 (CAS 401922-72-3) is a chemical compound with molecular formula C26H24FN3O3S and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)imino-N-(4-methoxyphenyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
Also Known As: A2645/0112660, (2Z)-2-[(4-fluorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide, 2-[(4-fluorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide, 2-(4-fluorophenyl)imino-N-(4-methoxyphenyl)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide, (Z)-2-((4-fluorophenyl)imino)-N-(4-methoxyphenyl)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide
| Molecular Formula | C26H24FN3O3S |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 5.0373 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.15225 |
| Heavy Atoms | 34 |
| Complexity | 1168.1599 |
Chemical Identifiers
| CAS Number | 401922-72-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)F)S2)CCC4=CC=CC=C4 |
Product Overview
A2645/0112660 (CAS 401922-72-3), with molecular formula C26H24FN3O3S and molecular weight 477.15 g/mol. IUPAC: 2-(4-fluorophenyl)imino-N-(4-methoxyphenyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A2645/0112660
Property Insights of A2645/0112660
The XLogP value of 5.0373 indicates that A2645/0112660 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 A2645/0112660. Following Lipinski's Rule of Five, A2645/0112660 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 A2645/0112660?
The CAS number of A2645/0112660 is 401922-72-3.
What is the molecular formula of A2645/0112660?
The molecular formula of A2645/0112660 is C26H24FN3O3S.
What is the molecular weight of A2645/0112660?
The molecular weight of A2645/0112660 is 477.15 g/mol.
Where can I buy A2645/0112660?
You can request a quote for A2645/0112660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2645/0112660?
Yes, KEHONG BIO provides custom synthesis services for A2645/0112660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.