AB00321350-02
TL;DR: AB00321350-02 (CAS 957265-80-4) is a chemical compound with molecular formula C25H30N4O2S and molecular weight 450.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(9-tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: AB00321350-02, AE-848/41828166, 2-[(9-Tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide, 2-[(9-tert-butyl-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide, 2-((9-(tert-butyl)-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)thio)-N-(m-tolyl)acetamide
| Molecular Formula | C25H30N4O2S |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | 4.89418 |
| Topological Polar Surface Area | 105.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.20895 |
| Heavy Atoms | 32 |
| Complexity | 1017.6031 |
Chemical Identifiers
| CAS Number | 957265-80-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=C(C3(CCC(CC3)C(C)(C)C)C(C(=O)N2)C#N)C#N |
Product Overview
AB00321350-02 (CAS 957265-80-4), with molecular formula C25H30N4O2S and molecular weight 450.21 g/mol. IUPAC: 2-[(9-tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of AB00321350-02
Property Insights of AB00321350-02
The XLogP value of 4.89418 indicates that AB00321350-02 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 AB00321350-02. Following Lipinski's Rule of Five, AB00321350-02 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 AB00321350-02?
The CAS number of AB00321350-02 is 957265-80-4.
What is the molecular formula of AB00321350-02?
The molecular formula of AB00321350-02 is C25H30N4O2S.
What is the molecular weight of AB00321350-02?
The molecular weight of AB00321350-02 is 450.21 g/mol.
Where can I buy AB00321350-02?
You can request a quote for AB00321350-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00321350-02?
Yes, KEHONG BIO provides custom synthesis services for AB00321350-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.