BIM-0014684.P001
TL;DR: BIM-0014684.P001 (CAS 186421-43-2) is a chemical compound with molecular formula C20H19ClN4OS and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: BIM-0014684.P001, 2-amino-4-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-(4-Chlorophenacylthio)-4-amino-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
| Molecular Formula | C20H19ClN4OS |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 4.23866 |
| Topological Polar Surface Area | 102.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0968 |
| Heavy Atoms | 27 |
| Complexity | 899.3948 |
Chemical Identifiers
| CAS Number | 186421-43-2 |
|---|---|
| SMILES | C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N |
Product Overview
BIM-0014684.P001 (CAS 186421-43-2), with molecular formula C20H19ClN4OS and molecular weight 398.10 g/mol. IUPAC: 2-amino-4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
Chemical Property Profile of BIM-0014684.P001
Property Insights of BIM-0014684.P001
The XLogP value of 4.23866 indicates that BIM-0014684.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0014684.P001. Following Lipinski's Rule of Five, BIM-0014684.P001 has 2 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 BIM-0014684.P001?
The CAS number of BIM-0014684.P001 is 186421-43-2.
What is the molecular formula of BIM-0014684.P001?
The molecular formula of BIM-0014684.P001 is C20H19ClN4OS.
What is the molecular weight of BIM-0014684.P001?
The molecular weight of BIM-0014684.P001 is 398.10 g/mol.
Where can I buy BIM-0014684.P001?
You can request a quote for BIM-0014684.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0014684.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0014684.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.