F0894-0334
TL;DR: F0894-0334 (CAS 402954-45-4) is a chemical compound with molecular formula C21H21ClN4OS and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-benzylsulfanyl-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-2-yl)-2-chloroacetamide
Also Known As: F0894-0334, N-[4-(benzylsulfanyl)-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-2-yl]-2-chloroacetamide, N-(4-(benzylthio)-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-2-yl)-2-chloroacetamide, N-(4-benzylsulfanyl-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-2-yl)-2-chloroacetamide, N-[4-(benzylthio)-1,5-dicyano-3-aza-1,4-spiro[5.5]undecadien-2-yl]chloroacetamide
| Molecular Formula | C21H21ClN4OS |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 4.29886 |
| Topological Polar Surface Area | 88.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.11246 |
| Heavy Atoms | 28 |
| Complexity | 889.22095 |
Chemical Identifiers
| CAS Number | 402954-45-4 |
|---|---|
| SMILES | C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CC=CC=C3)NC(=O)CCl)C#N |
Product Overview
F0894-0334 (CAS 402954-45-4), with molecular formula C21H21ClN4OS and molecular weight 412.11 g/mol. IUPAC: N-(4-benzylsulfanyl-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-2-yl)-2-chloroacetamide.
Chemical Property Profile of F0894-0334
Property Insights of F0894-0334
The XLogP value of 4.29886 indicates that F0894-0334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.71 Ų falls within the moderate polarity range, balancing permeability and solubility for F0894-0334. Following Lipinski's Rule of Five, F0894-0334 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 F0894-0334?
The CAS number of F0894-0334 is 402954-45-4.
What is the molecular formula of F0894-0334?
The molecular formula of F0894-0334 is C21H21ClN4OS.
What is the molecular weight of F0894-0334?
The molecular weight of F0894-0334 is 412.11 g/mol.
Where can I buy F0894-0334?
You can request a quote for F0894-0334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0894-0334?
Yes, KEHONG BIO provides custom synthesis services for F0894-0334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.