ChemDiv1_010535
TL;DR: ChemDiv1_010535 (CAS 361372-28-3) is a chemical compound with molecular formula C21H20ClN3O3S and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)imino-N-(4-methoxyphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_010535, (2Z)-2-[(4-chlorophenyl)imino]-N-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazinane-6-carboxamide, (Z)-3-allyl-2-((4-chlorophenyl)imino)-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide, 2-(4-chlorophenyl)imino-N-(4-methoxyphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide
| Molecular Formula | C21H20ClN3O3S |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 4.4949 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.0914 |
| Heavy Atoms | 29 |
| Complexity | 929.19244 |
Chemical Identifiers
| CAS Number | 361372-28-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)Cl)S2)CC=C |
Product Overview
ChemDiv1_010535 (CAS 361372-28-3), with molecular formula C21H20ClN3O3S and molecular weight 429.09 g/mol. IUPAC: 2-(4-chlorophenyl)imino-N-(4-methoxyphenyl)-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_010535
Property Insights of ChemDiv1_010535
The XLogP value of 4.4949 indicates that ChemDiv1_010535 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_010535. Following Lipinski's Rule of Five, ChemDiv1_010535 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_010535?
The CAS number of ChemDiv1_010535 is 361372-28-3.
What is the molecular formula of ChemDiv1_010535?
The molecular formula of ChemDiv1_010535 is C21H20ClN3O3S.
What is the molecular weight of ChemDiv1_010535?
The molecular weight of ChemDiv1_010535 is 429.09 g/mol.
Where can I buy ChemDiv1_010535?
You can request a quote for ChemDiv1_010535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010535?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.