4,21-Dehydrocorynantheine aldehyde
TL;DR: 4,21-Dehydrocorynantheine aldehyde (CAS 66543-10-0) 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 2-[(2S,3R,12bS)-3-ethenyl-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-hydroxyprop-2-enoate
Also Known As: 4,21-Dehydrocorynantheine aldehyde
| Molecular Formula | C21H23N2O3+ |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.17087 |
| Heavy Atoms | 26 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 66543-10-0 |
|---|---|
| SMILES | COC(=O)C(=CO)[C@H]1C[C@H]2C3=C(CC[N+]2=C[C@@H]1C=C)C4=CC=CC=C4N3 |
| InChIKey | ALAYFJAHDKALQW-AXHNFQJDSA-O |
Product Overview
4,21-Dehydrocorynantheine aldehyde (CAS 66543-10-0), with molecular formula C21H23N2O3+ and molecular weight 351.17 g/mol. IUPAC: methyl 2-[(2S,3R,12bS)-3-ethenyl-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-hydroxyprop-2-enoate.
Chemical Property Profile of 4,21-Dehydrocorynantheine aldehyde
Property Insights of 4,21-Dehydrocorynantheine aldehyde
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,21-Dehydrocorynantheine aldehyde. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,21-Dehydrocorynantheine aldehyde. Following Lipinski's Rule of Five, 4,21-Dehydrocorynantheine aldehyde 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-Dehydrocorynantheine aldehyde?
The CAS number of 4,21-Dehydrocorynantheine aldehyde is 66543-10-0.
What is the molecular formula of 4,21-Dehydrocorynantheine aldehyde?
The molecular formula of 4,21-Dehydrocorynantheine aldehyde is C21H23N2O3+.
What is the molecular weight of 4,21-Dehydrocorynantheine aldehyde?
The molecular weight of 4,21-Dehydrocorynantheine aldehyde is 351.17 g/mol.
Where can I buy 4,21-Dehydrocorynantheine aldehyde?
You can request a quote for 4,21-Dehydrocorynantheine aldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,21-Dehydrocorynantheine aldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4,21-Dehydrocorynantheine aldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.