ChemDiv3_003372
TL;DR: ChemDiv3_003372 (CAS 442556-32-3) is a chemical compound with molecular formula C20H19FN4O2S and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: ChemDiv3_003372, IDI1_021282, BRD-A01307574-001-01-9, 2-[(1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide, 2-((1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)thio)-N-(4-fluorophenyl)acetamide
| Molecular Formula | C20H19FN4O2S |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 3.45266 |
| Topological Polar Surface Area | 105.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.12128 |
| Heavy Atoms | 28 |
| Complexity | 892.2662 |
Chemical Identifiers
| CAS Number | 442556-32-3 |
|---|---|
| SMILES | C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)C#N |
Product Overview
ChemDiv3_003372 (CAS 442556-32-3), with molecular formula C20H19FN4O2S and molecular weight 398.12 g/mol. IUPAC: 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of ChemDiv3_003372
Property Insights of ChemDiv3_003372
The XLogP value of 3.45266 indicates that ChemDiv3_003372 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 ChemDiv3_003372. Following Lipinski's Rule of Five, ChemDiv3_003372 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 ChemDiv3_003372?
The CAS number of ChemDiv3_003372 is 442556-32-3.
What is the molecular formula of ChemDiv3_003372?
The molecular formula of ChemDiv3_003372 is C20H19FN4O2S.
What is the molecular weight of ChemDiv3_003372?
The molecular weight of ChemDiv3_003372 is 398.12 g/mol.
Where can I buy ChemDiv3_003372?
You can request a quote for ChemDiv3_003372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003372?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.