16-O-Acetylvindoline
TL;DR: 16-O-Acetylvindoline (CAS 58811-96-4) is a chemical compound with molecular formula C27H34N2O7 and molecular weight 498.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (9R,10S,11R,12R,19R)-10,11-diacetyloxy-12-ethyl-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Also Known As: 16-O-Acetylvindoline, Methyl 3,4-bis(acetyloxy)-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate, Methyl (9R,10S,11R,12R,19R)-10,11-diacetyloxy-12-ethyl-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate, Methyl 3beta,4beta-bis(acetyloxy)-16-methoxy-1-methyl-2beta,5alpha,19alpha-6,7-didehydroaspidospermidine-3alpha-carboxylate
| Molecular Formula | C27H34N2O7 |
|---|---|
| Molecular Weight | 498.24 g/mol |
| LogP | 2.2121 |
| Topological Polar Surface Area | 94.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.2366 |
| Heavy Atoms | 36 |
| Complexity | 1150.9314 |
Chemical Identifiers
| CAS Number | 58811-96-4 |
|---|---|
| SMILES | CC[C@@]12C=CCN3[C@@H]1C4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)OC(=O)C)N(C5=C4C=CC(=C5)OC)C |
Product Overview
16-O-Acetylvindoline (CAS 58811-96-4), with molecular formula C27H34N2O7 and molecular weight 498.24 g/mol. IUPAC: methyl (9R,10S,11R,12R,19R)-10,11-diacetyloxy-12-ethyl-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate.
Chemical Property Profile of 16-O-Acetylvindoline
Property Insights of 16-O-Acetylvindoline
The XLogP value of 2.2121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-O-Acetylvindoline. The TPSA of 94.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-O-Acetylvindoline. Following Lipinski's Rule of Five, 16-O-Acetylvindoline has 0 hydrogen bond donor(s) and 9 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 16-O-Acetylvindoline?
The CAS number of 16-O-Acetylvindoline is 58811-96-4.
What is the molecular formula of 16-O-Acetylvindoline?
The molecular formula of 16-O-Acetylvindoline is C27H34N2O7.
What is the molecular weight of 16-O-Acetylvindoline?
The molecular weight of 16-O-Acetylvindoline is 498.24 g/mol.
Where can I buy 16-O-Acetylvindoline?
You can request a quote for 16-O-Acetylvindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-O-Acetylvindoline?
Yes, KEHONG BIO provides custom synthesis services for 16-O-Acetylvindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.