Vincamine adenylate
TL;DR: Vincamine adenylate (CAS 66053-00-7) is a chemical compound with molecular formula C31H40N7O10P and molecular weight 701.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;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 adenylate, Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3alpha,14beta,16alpha)-, mono-5'-adenylate (salt), Methyl 14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate--9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine (1/1), Methyl 14beta-hydroxy-3alpha,16alpha-14,15-dihydroeburnamenine-14alpha-carboxylate--5'-adenylic acid (1/1)
| Molecular Formula | C31H40N7O10P |
|---|---|
| Molecular Weight | 701.26 g/mol |
| LogP | 1.0895 |
| Topological Polar Surface Area | 240.77 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 701.25745 |
| Heavy Atoms | 49 |
| Complexity | 1948.0204 |
Chemical Identifiers
| CAS Number | 66053-00-7 |
|---|---|
| SMILES | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
Product Overview
Vincamine adenylate (CAS 66053-00-7), with molecular formula C31H40N7O10P and molecular weight 701.26 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;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 adenylate
Property Insights of Vincamine adenylate
The XLogP value of 1.0895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vincamine adenylate. The TPSA of 240.77 Ų indicates high polarity, suggesting Vincamine adenylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vincamine adenylate has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vincamine adenylate?
The CAS number of Vincamine adenylate is 66053-00-7.
What is the molecular formula of Vincamine adenylate?
The molecular formula of Vincamine adenylate is C31H40N7O10P.
What is the molecular weight of Vincamine adenylate?
The molecular weight of Vincamine adenylate is 701.26 g/mol.
Where can I buy Vincamine adenylate?
You can request a quote for Vincamine adenylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vincamine adenylate?
Yes, KEHONG BIO provides custom synthesis services for Vincamine adenylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.