AB00117006-01
TL;DR: AB00117006-01 (CAS 431932-64-8) is a chemical compound with molecular formula C25H24N2O4 and molecular weight 416.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Also Known As: AB00117006-01, 5-(4-TERT-BUTYLPHENYL)-4-(2-FUROYL)-3-HYDROXY-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 2-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one, 5-(4-tert-butylphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one, 5-(4-tert-butylphenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C25H24N2O4 |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 4.7506 |
| Topological Polar Surface Area | 83.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1736 |
| Heavy Atoms | 31 |
| Complexity | 1124.5249 |
Chemical Identifiers
| CAS Number | 431932-64-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CO4 |
Product Overview
AB00117006-01 (CAS 431932-64-8), with molecular formula C25H24N2O4 and molecular weight 416.17 g/mol. IUPAC: 2-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
Chemical Property Profile of AB00117006-01
Property Insights of AB00117006-01
The XLogP value of 4.7506 indicates that AB00117006-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117006-01. Following Lipinski's Rule of Five, AB00117006-01 has 1 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 AB00117006-01?
The CAS number of AB00117006-01 is 431932-64-8.
What is the molecular formula of AB00117006-01?
The molecular formula of AB00117006-01 is C25H24N2O4.
What is the molecular weight of AB00117006-01?
The molecular weight of AB00117006-01 is 416.17 g/mol.
Where can I buy AB00117006-01?
You can request a quote for AB00117006-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117006-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117006-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.