Apovincaminic acid
TL;DR: Apovincaminic acid (CAS 1329624-60-3) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylic acid
Also Known As: Apovincaminic acid, Apovincaminic Acid-[d4], Apovincaminic acid (hydrochloride salt), (15S,19S)-3,4,5,6-Tetradeuterio-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylic acid, (13aS,13bS)-13a-Ethyl-2,3,5,6,13a,13b-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylic Acid-d4
Technical Specifications
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.16812 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.16812 Da |
| Heavy Atoms | 24 |
| Complexity | 588.0 |
| SMILES | CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)O |
| InChIKey | ZFCQLDAGNBFMJQ-UHFFFAOYSA-N |
Chemical Property Profile of Apovincaminic acid
Property Insights of Apovincaminic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apovincaminic acid. With a topological polar surface area (TPSA) of 45.5 Ų, Apovincaminic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Apovincaminic acid 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
What is the CAS number of Apovincaminic acid?
The CAS number of Apovincaminic acid is 1329624-60-3.
What is the molecular formula of Apovincaminic acid?
The molecular formula of Apovincaminic acid is C20H22N2O2.
What is the molecular weight of Apovincaminic acid?
The molecular weight of Apovincaminic acid is 322.16812 g/mol.
Where can I buy Apovincaminic acid?
You can request a quote for Apovincaminic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Apovincaminic acid?
Yes, CoreyChem provides custom synthesis services for Apovincaminic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.