2-(Nitrooxy)ethyl apovincaminate
TL;DR: 2-(Nitrooxy)ethyl apovincaminate (CAS 15041-87-9) is a chemical compound with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrooxyethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
Also Known As: Noetapov, 2-(Nitrooxy)ethyl apovincaminate, VA 045, Eburnamenine-14 carboxylic acid (2-nitroxyethyl)ester, 2-(Nitrooxy)ethyl eburnamenine-14-carboxylate
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 15041-87-9 |
|---|---|
| SMILES | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCCO[N+](=O)[O-] |
| InChIKey | VDHLDQHKSSLLJV-IRLDBZIGSA-N |
Product Overview
2-(Nitrooxy)ethyl apovincaminate (CAS 15041-87-9), with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol. IUPAC: 2-nitrooxyethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate.
Chemical Property Profile of 2-(Nitrooxy)ethyl apovincaminate
Property Insights of 2-(Nitrooxy)ethyl apovincaminate
The XLogP value of 4.0 indicates that 2-(Nitrooxy)ethyl apovincaminate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Nitrooxy)ethyl apovincaminate. Following Lipinski's Rule of Five, 2-(Nitrooxy)ethyl apovincaminate has 0 hydrogen bond donor(s) and 6 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 2-(Nitrooxy)ethyl apovincaminate?
The CAS number of 2-(Nitrooxy)ethyl apovincaminate is 15041-87-9.
What is the molecular formula of 2-(Nitrooxy)ethyl apovincaminate?
The molecular formula of 2-(Nitrooxy)ethyl apovincaminate is C22H25N3O5.
What is the molecular weight of 2-(Nitrooxy)ethyl apovincaminate?
The molecular weight of 2-(Nitrooxy)ethyl apovincaminate is 411.18 g/mol.
Where can I buy 2-(Nitrooxy)ethyl apovincaminate?
You can request a quote for 2-(Nitrooxy)ethyl apovincaminate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Nitrooxy)ethyl apovincaminate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Nitrooxy)ethyl apovincaminate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.