methyl(5|A)-3,4-didehydroibogamine-18-carboxylate
TL;DR: methyl(5|A)-3,4-didehydroibogamine-18-carboxylate (CAS 24841-87-0) is a chemical compound with molecular formula C21H24N2O2 and molecular weight 336.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
Also Known As: Catharanthine, Catharanthin, (+)-3,4-Didehydrocoronaridine, EINECS 219-586-6, methyl(5
| Molecular Formula | C21H24N2O2 |
|---|---|
| Molecular Weight | 336.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.18378 |
| Heavy Atoms | 25 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 24841-87-0 |
|---|---|
| SMILES | CCC1=CC2C[C@@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
| InChIKey | CMKFQVZJOWHHDV-BTSGLNRLSA-N |
Product Overview
methyl(5|A)-3,4-didehydroibogamine-18-carboxylate (CAS 24841-87-0), with molecular formula C21H24N2O2 and molecular weight 336.18 g/mol. IUPAC: methyl (1S,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate.
Chemical Property Profile of methyl(5|A)-3,4-didehydroibogamine-18-carboxylate
Property Insights of methyl(5|A)-3,4-didehydroibogamine-18-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl(5|A)-3,4-didehydroibogamine-18-carboxylate. With a topological polar surface area (TPSA) of 45.3 Ų, methyl(5|A)-3,4-didehydroibogamine-18-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl(5|A)-3,4-didehydroibogamine-18-carboxylate has 1 hydrogen bond donor(s) and 3 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(5|A)-3,4-didehydroibogamine-18-carboxylate?
The CAS number of methyl(5|A)-3,4-didehydroibogamine-18-carboxylate is 24841-87-0.
What is the molecular formula of methyl(5|A)-3,4-didehydroibogamine-18-carboxylate?
The molecular formula of methyl(5|A)-3,4-didehydroibogamine-18-carboxylate is C21H24N2O2.
What is the molecular weight of methyl(5|A)-3,4-didehydroibogamine-18-carboxylate?
The molecular weight of methyl(5|A)-3,4-didehydroibogamine-18-carboxylate is 336.18 g/mol.
Where can I buy methyl(5|A)-3,4-didehydroibogamine-18-carboxylate?
You can request a quote for methyl(5|A)-3,4-didehydroibogamine-18-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl(5|A)-3,4-didehydroibogamine-18-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl(5|A)-3,4-didehydroibogamine-18-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.