MITRAGYNINE
TL;DR: MITRAGYNINE (CAS 6202-22-8) is a chemical compound with molecular formula C23H30N2O4 and molecular weight 398.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate
Also Known As: MITRAGYNINE, Speciociliatine, Mitraciliatine, (-)-Mitragynine, Methyl 9,17-dimethoxycoryn-16-en-16-carboxylate
| Molecular Formula | C23H30N2O4 |
|---|---|
| Molecular Weight | 398.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.22055 |
| Heavy Atoms | 29 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 6202-22-8 |
|---|---|
| SMILES | CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=C3C(=CC=C4)OC |
| InChIKey | LELBFTMXCIIKKX-UHFFFAOYSA-N |
Product Overview
MITRAGYNINE (CAS 6202-22-8), with molecular formula C23H30N2O4 and molecular weight 398.22 g/mol. IUPAC: methyl 2-(3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate.
Chemical Property Profile of MITRAGYNINE
Property Insights of MITRAGYNINE
The XLogP value of 3.4 indicates that MITRAGYNINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for MITRAGYNINE. Following Lipinski's Rule of Five, MITRAGYNINE has 1 hydrogen bond donor(s) and 5 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 MITRAGYNINE?
The CAS number of MITRAGYNINE is 6202-22-8.
What is the molecular formula of MITRAGYNINE?
The molecular formula of MITRAGYNINE is C23H30N2O4.
What is the molecular weight of MITRAGYNINE?
The molecular weight of MITRAGYNINE is 398.22 g/mol.
Where can I buy MITRAGYNINE?
You can request a quote for MITRAGYNINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MITRAGYNINE?
Yes, KEHONG BIO provides custom synthesis services for MITRAGYNINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.