AB00147533-02
TL;DR: AB00147533-02 (CAS 442556-53-8) is a chemical compound with molecular formula C22H19ClN4O3S2 and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: AB00147533-02, F1109-0144, AE-848/41151075, PROP-2-EN-1-YL 4-(4-CHLOROPHENYL)-5-CYANO-2-METHYL-6-({[(1,3-THIAZOL-2-YL)CARBAMOYL]METHYL}SULFANYL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, prop-2-enyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C22H19ClN4O3S2 |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | 4.59358 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.05872 |
| Heavy Atoms | 32 |
| Complexity | 1119.0447 |
Chemical Identifiers
| CAS Number | 442556-53-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC=C |
Product Overview
AB00147533-02 (CAS 442556-53-8), with molecular formula C22H19ClN4O3S2 and molecular weight 486.06 g/mol. IUPAC: prop-2-enyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of AB00147533-02
Property Insights of AB00147533-02
The XLogP value of 4.59358 indicates that AB00147533-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00147533-02. Following Lipinski's Rule of Five, AB00147533-02 has 2 hydrogen bond donor(s) and 8 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 AB00147533-02?
The CAS number of AB00147533-02 is 442556-53-8.
What is the molecular formula of AB00147533-02?
The molecular formula of AB00147533-02 is C22H19ClN4O3S2.
What is the molecular weight of AB00147533-02?
The molecular weight of AB00147533-02 is 486.06 g/mol.
Where can I buy AB00147533-02?
You can request a quote for AB00147533-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00147533-02?
Yes, KEHONG BIO provides custom synthesis services for AB00147533-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.