Itaconylanabasine
TL;DR: Itaconylanabasine (CAS 73167-05-2) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylidene-4-oxo-4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butanoic acid
Also Known As: Itaconylanabasine, (S)-alpha-Methylene-gamma-oxo-2-(3-pyridinyl)-1-piperidinebutanoic acid, 1-Piperidinebutanoic acid, alpha-methylene-gamma-oxo-2-(3-pyridinyl)-, (S)-, 2-methylidene-4-oxo-4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butanoic acid, 2-METHYLIDENE-4-OXO-4-[(2S)-2-(PYRIDIN-3-YL)PIPERIDIN-1-YL]BUTANOIC ACID
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.1661 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 513.10974 |
Chemical Identifiers
| CAS Number | 73167-05-2 |
|---|---|
| SMILES | C=C(CC(=O)N1CCCC[C@H]1C2=CN=CC=C2)C(=O)O |
Product Overview
Itaconylanabasine (CAS 73167-05-2), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: 2-methylidene-4-oxo-4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butanoic acid.
Chemical Property Profile of Itaconylanabasine
Property Insights of Itaconylanabasine
The XLogP value of 2.1661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Itaconylanabasine. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Itaconylanabasine. Following Lipinski's Rule of Five, Itaconylanabasine has 1 hydrogen bond donor(s) and 3 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 Itaconylanabasine?
The CAS number of Itaconylanabasine is 73167-05-2.
What is the molecular formula of Itaconylanabasine?
The molecular formula of Itaconylanabasine is C15H18N2O3.
What is the molecular weight of Itaconylanabasine?
The molecular weight of Itaconylanabasine is 274.13 g/mol.
Where can I buy Itaconylanabasine?
You can request a quote for Itaconylanabasine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itaconylanabasine?
Yes, KEHONG BIO provides custom synthesis services for Itaconylanabasine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.