Vincamine N4-mononitrate
TL;DR: Vincamine N4-mononitrate (CAS 68263-14-9) is a chemical compound with molecular formula C21H27N3O6 and molecular weight 417.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;nitric acid
Also Known As: Vincamine N4-mononitrate, Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3alpha,14beta,16alpha)-, mononitrate (salt), 5H-DIBENZO(a,d)CYCLOHEPTENE-5-PROPYLAMINE, N,N-DIMETHYL-, MONOHYDROBROMIDE, Nitric acid--methyl 14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate (1/1), Nitric acid--methyl 14beta-hydroxy-3alpha,16alpha-14,15-dihydroeburnamenine-14alpha-carboxylate (1/1)
| Molecular Formula | C21H27N3O6 |
|---|---|
| Molecular Weight | 417.19 g/mol |
| LogP | 2.6048 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.18997 |
| Heavy Atoms | 30 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 68263-14-9 |
|---|---|
| SMILES | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O.[N+](=O)(O)[O-] |
| InChIKey | XCBBMMSRSAGQQW-YAFGAGFVSA-N |
Product Overview
Vincamine N4-mononitrate (CAS 68263-14-9), with molecular formula C21H27N3O6 and molecular weight 417.19 g/mol. IUPAC: methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;nitric acid.
Chemical Property Profile of Vincamine N4-mononitrate
Property Insights of Vincamine N4-mononitrate
The XLogP value of 2.6048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vincamine N4-mononitrate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vincamine N4-mononitrate. Following Lipinski's Rule of Five, Vincamine N4-mononitrate has 2 hydrogen bond donor(s) and 7 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 Vincamine N4-mononitrate?
The CAS number of Vincamine N4-mononitrate is 68263-14-9.
What is the molecular formula of Vincamine N4-mononitrate?
The molecular formula of Vincamine N4-mononitrate is C21H27N3O6.
What is the molecular weight of Vincamine N4-mononitrate?
The molecular weight of Vincamine N4-mononitrate is 417.19 g/mol.
Where can I buy Vincamine N4-mononitrate?
You can request a quote for Vincamine N4-mononitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vincamine N4-mononitrate?
Yes, KEHONG BIO provides custom synthesis services for Vincamine N4-mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.