ChemDiv1_018128
TL;DR: ChemDiv1_018128 (CAS 405901-77-1) is a chemical compound with molecular formula C25H22FN3O3S and molecular weight 463.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_018128, (Z)-N-(4-fluorophenyl)-3-(4-methoxybenzyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide, A2657/0113260, N-(4-fluorophenyl)-3-(4-methoxybenzyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide, N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
| Molecular Formula | C25H22FN3O3S |
|---|---|
| Molecular Weight | 463.14 g/mol |
| LogP | 4.9948 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.1366 |
| Heavy Atoms | 33 |
| Complexity | 1151.7794 |
Chemical Identifiers
| CAS Number | 405901-77-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)CC(SC2=NC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F |
Product Overview
ChemDiv1_018128 (CAS 405901-77-1), with molecular formula C25H22FN3O3S and molecular weight 463.14 g/mol. IUPAC: N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_018128
Property Insights of ChemDiv1_018128
The XLogP value of 4.9948 indicates that ChemDiv1_018128 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 ChemDiv1_018128. Following Lipinski's Rule of Five, ChemDiv1_018128 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_018128?
The CAS number of ChemDiv1_018128 is 405901-77-1.
What is the molecular formula of ChemDiv1_018128?
The molecular formula of ChemDiv1_018128 is C25H22FN3O3S.
What is the molecular weight of ChemDiv1_018128?
The molecular weight of ChemDiv1_018128 is 463.14 g/mol.
Where can I buy ChemDiv1_018128?
You can request a quote for ChemDiv1_018128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018128?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.