AB00129125-02
TL;DR: AB00129125-02 (CAS 223110-34-7) is a chemical compound with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-4-(furan-2-yl)-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: AB00129125-02, AE-848/06185055, 5-cyano-4-(2-furyl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-N-phenyl-1,4-dihydro-3-pyridinecarboxamide, 5-cyano-4-(furan-2-yl)-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-4-(2-furyl)-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C26H21N3O3S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 5.23038 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.13037 |
| Heavy Atoms | 33 |
| Complexity | 1257.1256 |
Chemical Identifiers
| CAS Number | 223110-34-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4 |
Product Overview
AB00129125-02 (CAS 223110-34-7), with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol. IUPAC: 5-cyano-4-(furan-2-yl)-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of AB00129125-02
Property Insights of AB00129125-02
The XLogP value of 5.23038 indicates that AB00129125-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00129125-02. Following Lipinski's Rule of Five, AB00129125-02 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00129125-02?
The CAS number of AB00129125-02 is 223110-34-7.
What is the molecular formula of AB00129125-02?
The molecular formula of AB00129125-02 is C26H21N3O3S.
What is the molecular weight of AB00129125-02?
The molecular weight of AB00129125-02 is 455.13 g/mol.
Where can I buy AB00129125-02?
You can request a quote for AB00129125-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00129125-02?
Yes, KEHONG BIO provides custom synthesis services for AB00129125-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.