AF-499/00049040
TL;DR: AF-499/00049040 (CAS 54756-39-7) is a chemical compound with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-acetyl-2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl)ethanone
Also Known As: 3,5-diacetyl-2,6-dimethyl-4-(3-pyridyl)-1,4-dihydropyridine, AF-499/00049040, J2.106.391F, 1-(5-acetyl-2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl)ethanone, Ethanone, 1,1'-(1',4'-dihydro-2',6'-dimethyl[3,4'-bipyridine]-3',5'-diyl)bis-
| Molecular Formula | C16H18N2O2 |
|---|---|
| Molecular Weight | 270.14 g/mol |
| LogP | 2.4944 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.13684 |
| Heavy Atoms | 20 |
| Complexity | 591.1368 |
Chemical Identifiers
| CAS Number | 54756-39-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)C)C2=CN=CC=C2)C(=O)C |
Product Overview
AF-499/00049040 (CAS 54756-39-7), with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol. IUPAC: 1-(5-acetyl-2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl)ethanone.
Chemical Property Profile of AF-499/00049040
Property Insights of AF-499/00049040
The XLogP value of 2.4944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-499/00049040. With a topological polar surface area (TPSA) of 59.06 Ų, AF-499/00049040 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-499/00049040 has 1 hydrogen bond donor(s) and 4 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 AF-499/00049040?
The CAS number of AF-499/00049040 is 54756-39-7.
What is the molecular formula of AF-499/00049040?
The molecular formula of AF-499/00049040 is C16H18N2O2.
What is the molecular weight of AF-499/00049040?
The molecular weight of AF-499/00049040 is 270.14 g/mol.
Where can I buy AF-499/00049040?
You can request a quote for AF-499/00049040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-499/00049040?
Yes, KEHONG BIO provides custom synthesis services for AF-499/00049040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.