4,21-Dehydrogeissoschizine
TL;DR: 4,21-Dehydrogeissoschizine (CAS 73385-56-5) is a chemical compound with molecular formula C21H23N2O3+ and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-2-yl]-3-hydroxyprop-2-enoate
Also Known As: 4,21-Dehydrogeissoschizine, 4,21-Dehydro-16E,19E-geissoschizine, methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-2-yl]-3-hydroxyprop-2-enoate, Corynanium, 4,16,17,19,20,21-hexadehydro-17-hydroxy-16-(methoxycarbonyl)-, (16E,19E)-, methyl (19E)-16-(hydroxymethylidene)-4,21-didehydrocoryn-19-en-4-ium-17-oate
| Molecular Formula | C21H23N2O3+ |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 3.4295 |
| Topological Polar Surface Area | 65.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.17087 |
| Heavy Atoms | 26 |
| Complexity | 964.79156 |
Chemical Identifiers
| CAS Number | 73385-56-5 |
|---|---|
| SMILES | C/C=C\1/C=[N+]2CCC3=C([C@@H]2C[C@@H]1/C(=C/O)/C(=O)OC)NC4=CC=CC=C34 |
Product Overview
4,21-Dehydrogeissoschizine (CAS 73385-56-5), with molecular formula C21H23N2O3+ and molecular weight 351.17 g/mol. IUPAC: methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-2-yl]-3-hydroxyprop-2-enoate.
Chemical Property Profile of 4,21-Dehydrogeissoschizine
Property Insights of 4,21-Dehydrogeissoschizine
The XLogP value of 3.4295 indicates that 4,21-Dehydrogeissoschizine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,21-Dehydrogeissoschizine. Following Lipinski's Rule of Five, 4,21-Dehydrogeissoschizine has 2 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 4,21-Dehydrogeissoschizine?
The CAS number of 4,21-Dehydrogeissoschizine is 73385-56-5.
What is the molecular formula of 4,21-Dehydrogeissoschizine?
The molecular formula of 4,21-Dehydrogeissoschizine is C21H23N2O3+.
What is the molecular weight of 4,21-Dehydrogeissoschizine?
The molecular weight of 4,21-Dehydrogeissoschizine is 351.17 g/mol.
Where can I buy 4,21-Dehydrogeissoschizine?
You can request a quote for 4,21-Dehydrogeissoschizine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,21-Dehydrogeissoschizine?
Yes, KEHONG BIO provides custom synthesis services for 4,21-Dehydrogeissoschizine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.