ChemDiv1_018032
TL;DR: ChemDiv1_018032 (CAS 442873-55-4) is a chemical compound with molecular formula C25H19F2N3O4S and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_018032, A2645/0112659, 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide, (2E)-3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N-(4-FLUOROPHENYL)-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-CARBOXAMIDE, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C25H19F2N3O4S |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 4.854 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.10645 |
| Heavy Atoms | 35 |
| Complexity | 1299.069 |
Chemical Identifiers
| CAS Number | 442873-55-4 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)F |
Product Overview
ChemDiv1_018032 (CAS 442873-55-4), with molecular formula C25H19F2N3O4S and molecular weight 495.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_018032
Property Insights of ChemDiv1_018032
The XLogP value of 4.854 indicates that ChemDiv1_018032 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 ChemDiv1_018032. Following Lipinski's Rule of Five, ChemDiv1_018032 has 1 hydrogen bond donor(s) and 6 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_018032?
The CAS number of ChemDiv1_018032 is 442873-55-4.
What is the molecular formula of ChemDiv1_018032?
The molecular formula of ChemDiv1_018032 is C25H19F2N3O4S.
What is the molecular weight of ChemDiv1_018032?
The molecular weight of ChemDiv1_018032 is 495.11 g/mol.
Where can I buy ChemDiv1_018032?
You can request a quote for ChemDiv1_018032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018032?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.