ChemDiv1_002877
TL;DR: ChemDiv1_002877 (CAS 384794-60-9) is a chemical compound with molecular formula C20H20BrN3O3S and molecular weight 461.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_002877, (2Z)-2-[(4-bromophenyl)imino]-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, (2E)-2-[(4-bromophenyl)imino]-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, 2-(4-bromophenyl)imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-2-((4-bromophenyl)imino)-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C20H20BrN3O3S |
|---|---|
| Molecular Weight | 461.04 g/mol |
| LogP | 4.4379 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.0409 |
| Heavy Atoms | 28 |
| Complexity | 901.82385 |
Chemical Identifiers
| CAS Number | 384794-60-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)Br)S2)C |
Product Overview
ChemDiv1_002877 (CAS 384794-60-9), with molecular formula C20H20BrN3O3S and molecular weight 461.04 g/mol. IUPAC: 2-(4-bromophenyl)imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_002877
Property Insights of ChemDiv1_002877
The XLogP value of 4.4379 indicates that ChemDiv1_002877 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_002877. Following Lipinski's Rule of Five, ChemDiv1_002877 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_002877?
The CAS number of ChemDiv1_002877 is 384794-60-9.
What is the molecular formula of ChemDiv1_002877?
The molecular formula of ChemDiv1_002877 is C20H20BrN3O3S.
What is the molecular weight of ChemDiv1_002877?
The molecular weight of ChemDiv1_002877 is 461.04 g/mol.
Where can I buy ChemDiv1_002877?
You can request a quote for ChemDiv1_002877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002877?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.