钩藤碱
TL;DR: 钩藤碱 (CAS 76-66-4) 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.
钩藤碱
methyl 2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Also Known As: Isorhynchophylline, 7-Isorhyncophylline
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 76-66-4 |
|---|---|
| SMILES | CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O |
| InChIKey | DAXYUDFNWXHGBE-STAGFUQPSA-N |
Product Overview
钩藤碱 (CAS 76-66-4), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: methyl 2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate.
Chemical Property Profile of 钩藤碱
Property Insights of 钩藤碱
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 钩藤碱. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 钩藤碱. Following Lipinski's Rule of Five, 钩藤碱 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 钩藤碱?
The CAS number of 钩藤碱 is 76-66-4.
What is the molecular formula of 钩藤碱?
The molecular formula of 钩藤碱 is C22H28N2O4.
What is the molecular weight of 钩藤碱?
The molecular weight of 钩藤碱 is 384.20 g/mol.
Where can I buy 钩藤碱?
You can request a quote for 钩藤碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 钩藤碱?
Yes, KEHONG BIO provides custom synthesis services for 钩藤碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.