Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate
TL;DR: Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate (CAS 11034-66-5) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,9S,10R,12S,13S,20S)-9-hydroxy-12-methyl-11-oxa-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,14-tetraene-10-carboxylate
Also Known As: Vincoline, 20-Epimelobaline, Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate, Aspidospermidine-3-carboxylic acid, 6,7-didehydro-3,20-epoxy-2-hydroxy-, methyl ester, (2-beta,3-alpha,5-alpha,12-beta,19-alpha,20S)-, Methyl (20S)-2-hydroxy-2beta,5alpha,12beta,19alpha-6,7-didehydro-3,20-epoxyaspidospermidine-3alpha-carboxylate
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 1.4032 |
| Topological Polar Surface Area | 71.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 901.9227 |
Chemical Identifiers
| CAS Number | 11034-66-5 |
|---|---|
| SMILES | C[C@H]1[C@]23C[C@@](O1)([C@]4([C@@]5([C@H]2N(CC5)CC=C3)C6=CC=CC=C6N4)O)C(=O)OC |
Product Overview
Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate (CAS 11034-66-5), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: methyl (1R,9S,10R,12S,13S,20S)-9-hydroxy-12-methyl-11-oxa-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,14-tetraene-10-carboxylate.
Chemical Property Profile of Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate
Property Insights of Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate
The XLogP value of 1.4032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate. The TPSA of 71.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate has 2 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 Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate?
The CAS number of Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate is 11034-66-5.
What is the molecular formula of Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate?
The molecular formula of Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate is C21H24N2O4.
What is the molecular weight of Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate?
The molecular weight of Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate is 368.17 g/mol.
Where can I buy Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate?
You can request a quote for Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-6,7-didehydro-3,20-epoxyaspidospermidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.