Dihydrocorynantheine
TL;DR: Dihydrocorynantheine (CAS 4684-43-9) is a chemical compound with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Also Known As: Dihydrocorynantheine, methyl 2-[(2S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
| Molecular Formula | C22H28N2O3 |
|---|---|
| Molecular Weight | 368.21 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.21 |
| Heavy Atoms | 27 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 4684-43-9 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1C(=COC)C(=O)OC)NC4=CC=CC=C34 |
| InChIKey | NMLUOJBSAYAYEM-VHFSOBRXSA-N |
Product Overview
Dihydrocorynantheine (CAS 4684-43-9), with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol. IUPAC: methyl 2-[(2S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate.
Chemical Property Profile of Dihydrocorynantheine
Property Insights of Dihydrocorynantheine
The XLogP value of 3.4 indicates that Dihydrocorynantheine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, Dihydrocorynantheine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydrocorynantheine has 1 hydrogen bond donor(s) and 4 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 Dihydrocorynantheine?
The CAS number of Dihydrocorynantheine is 4684-43-9.
What is the molecular formula of Dihydrocorynantheine?
The molecular formula of Dihydrocorynantheine is C22H28N2O3.
What is the molecular weight of Dihydrocorynantheine?
The molecular weight of Dihydrocorynantheine is 368.21 g/mol.
Where can I buy Dihydrocorynantheine?
You can request a quote for Dihydrocorynantheine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrocorynantheine?
Yes, KEHONG BIO provides custom synthesis services for Dihydrocorynantheine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.