ChemDiv1_028835
TL;DR: ChemDiv1_028835 (CAS 369396-64-5) is a chemical compound with molecular formula C20H19ClN4O2S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_028835, N-(3-chlorophenyl)-2-((1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)thio)acetamide, N-(3-CHLOROPHENYL)-2-({1,5-DICYANO-4-OXO-3-AZASPIRO[5.5]UNDEC-1-EN-2-YL}SULFANYL)ACETAMIDE, N-(3-chlorophenyl)-2-[(1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]acetamide, N-(3-chlorophenyl)-2-[(7,11-dicyano-8-oxo-9-azaspiro[5.5]undec-10-en-10-yl)sulfanyl]acetamide
| Molecular Formula | C20H19ClN4O2S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 3.96696 |
| Topological Polar Surface Area | 105.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.09174 |
| Heavy Atoms | 28 |
| Complexity | 909.5162 |
Chemical Identifiers
| CAS Number | 369396-64-5 |
|---|---|
| SMILES | C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)Cl)C#N |
Product Overview
ChemDiv1_028835 (CAS 369396-64-5), with molecular formula C20H19ClN4O2S and molecular weight 414.09 g/mol. IUPAC: N-(3-chlorophenyl)-2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_028835
Property Insights of ChemDiv1_028835
The XLogP value of 3.96696 indicates that ChemDiv1_028835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028835. Following Lipinski's Rule of Five, ChemDiv1_028835 has 2 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_028835?
The CAS number of ChemDiv1_028835 is 369396-64-5.
What is the molecular formula of ChemDiv1_028835?
The molecular formula of ChemDiv1_028835 is C20H19ClN4O2S.
What is the molecular weight of ChemDiv1_028835?
The molecular weight of ChemDiv1_028835 is 414.09 g/mol.
Where can I buy ChemDiv1_028835?
You can request a quote for ChemDiv1_028835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028835?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.