ChemDiv1_010476
TL;DR: ChemDiv1_010476 (CAS 442555-08-0) is a chemical compound with molecular formula C19H17BrFN3O2S and molecular weight 449.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-3-ethyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_010476, BAS 02280709, (2Z)-N-(4-bromophenyl)-3-ethyl-2-[(3-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-N-(4-bromophenyl)-3-ethyl-2-((3-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamide, N-(4-bromophenyl)-3-ethyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C19H17BrFN3O2S |
|---|---|
| Molecular Weight | 449.02 g/mol |
| LogP | 4.5684 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.0209 |
| Heavy Atoms | 27 |
| Complexity | 888.77844 |
Chemical Identifiers
| CAS Number | 442555-08-0 |
|---|---|
| SMILES | CCN1C(=O)CC(SC1=NC2=CC(=CC=C2)F)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_010476 (CAS 442555-08-0), with molecular formula C19H17BrFN3O2S and molecular weight 449.02 g/mol. IUPAC: N-(4-bromophenyl)-3-ethyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_010476
Property Insights of ChemDiv1_010476
The XLogP value of 4.5684 indicates that ChemDiv1_010476 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010476. Following Lipinski's Rule of Five, ChemDiv1_010476 has 1 hydrogen bond donor(s) and 4 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_010476?
The CAS number of ChemDiv1_010476 is 442555-08-0.
What is the molecular formula of ChemDiv1_010476?
The molecular formula of ChemDiv1_010476 is C19H17BrFN3O2S.
What is the molecular weight of ChemDiv1_010476?
The molecular weight of ChemDiv1_010476 is 449.02 g/mol.
Where can I buy ChemDiv1_010476?
You can request a quote for ChemDiv1_010476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010476?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.