Gambirine
TL;DR: Gambirine (CAS 29472-77-3) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-[(2S,3R,12bS)-3-ethyl-8-hydroxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Also Known As: Gambirine, (20R)-9-hydroxycorynantheidine, 2,6-Bis(1-methylpropyl)-m-cresol, methyl (E)-2-[(2S,3R,12bS)-3-ethyl-8-hydroxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate, Corynan-16-carboxylic acid, 16,17-didehydro-9-hydroxy-17-methoxy-, methyl ester, (16E)-
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 3.5221 |
| Topological Polar Surface Area | 74.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 916.64264 |
Chemical Identifiers
| CAS Number | 29472-77-3 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)O |
Product Overview
Gambirine (CAS 29472-77-3), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: methyl (E)-2-[(2S,3R,12bS)-3-ethyl-8-hydroxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate.
Chemical Property Profile of Gambirine
Property Insights of Gambirine
The XLogP value of 3.5221 indicates that Gambirine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Gambirine. Following Lipinski's Rule of Five, Gambirine has 2 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 Gambirine?
The CAS number of Gambirine is 29472-77-3.
What is the molecular formula of Gambirine?
The molecular formula of Gambirine is C22H28N2O4.
What is the molecular weight of Gambirine?
The molecular weight of Gambirine is 384.20 g/mol.
Where can I buy Gambirine?
You can request a quote for Gambirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gambirine?
Yes, KEHONG BIO provides custom synthesis services for Gambirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.