Vincamine 5-bromonicotinate
TL;DR: Vincamine 5-bromonicotinate (CAS 58703-79-0) is a chemical compound with molecular formula C27H30BrN3O5 and molecular weight 555.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromopyridine-3-carboxylic acid;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
Also Known As: Vincamine 5-bromonicotinate, Methyl (3alpha,14beta,16alpha)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate, mono(5-bromonicotinate), Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3-alpha,14-beta,16-alpha)-, mono(5-bromo-3-pyridinecarboxylate) (salt), 261-397-6, 3-Pyridinecarboxylic acid, 5-bromo-, compd. with (12S,13aS,13bS)-methyl 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-1H-indolo(3,2,1-de)pyrido(3,2,1-ij)(1,5)naphthyridine-12-carboxylate (1:1)
| Molecular Formula | C27H30BrN3O5 |
|---|---|
| Molecular Weight | 555.14 g/mol |
| LogP | 4.4948 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 555.1369 |
| Heavy Atoms | 36 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 58703-79-0 |
|---|---|
| SMILES | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O.C1=C(C=NC=C1Br)C(=O)O |
| InChIKey | SEFKORZDDBRVFX-YAFGAGFVSA-N |
Product Overview
Vincamine 5-bromonicotinate (CAS 58703-79-0), with molecular formula C27H30BrN3O5 and molecular weight 555.14 g/mol. IUPAC: 5-bromopyridine-3-carboxylic acid;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.
Chemical Property Profile of Vincamine 5-bromonicotinate
Property Insights of Vincamine 5-bromonicotinate
The XLogP value of 4.4948 indicates that Vincamine 5-bromonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vincamine 5-bromonicotinate. Following Lipinski's Rule of Five, Vincamine 5-bromonicotinate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vincamine 5-bromonicotinate?
The CAS number of Vincamine 5-bromonicotinate is 58703-79-0.
What is the molecular formula of Vincamine 5-bromonicotinate?
The molecular formula of Vincamine 5-bromonicotinate is C27H30BrN3O5.
What is the molecular weight of Vincamine 5-bromonicotinate?
The molecular weight of Vincamine 5-bromonicotinate is 555.14 g/mol.
Where can I buy Vincamine 5-bromonicotinate?
You can request a quote for Vincamine 5-bromonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vincamine 5-bromonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Vincamine 5-bromonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.