Crassanine
TL;DR: Crassanine (CAS 16790-92-4) is a chemical compound with molecular formula C23H30N2O5 and molecular weight 414.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9'-ethyl-5,6-dimethoxy-2-oxospiro[1H-indole-3,6'-3-azatricyclo[5.3.1.03,8]undecane]-7'-carboxylate
Also Known As: Crassanine, Conopharyngine oxindole, (all-.xi.)-, (2xi,4xi,5xi,6xi,18xi)-Conopharyngine oxindole, 9164AF, (2,4,5,6,18)-Conopharyngine oxindole
| Molecular Formula | C23H30N2O5 |
|---|---|
| Molecular Weight | 414.22 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.21548 |
| Heavy Atoms | 30 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 16790-92-4 |
|---|---|
| SMILES | CCC1CC2CC3(C1N(C2)CCC34C5=CC(=C(C=C5NC4=O)OC)OC)C(=O)OC |
| InChIKey | WSANFVMOMGTHSN-UHFFFAOYSA-N |
Product Overview
Crassanine (CAS 16790-92-4), with molecular formula C23H30N2O5 and molecular weight 414.22 g/mol. IUPAC: methyl 9'-ethyl-5,6-dimethoxy-2-oxospiro[1H-indole-3,6'-3-azatricyclo[5.3.1.03,8]undecane]-7'-carboxylate.
Chemical Property Profile of Crassanine
Property Insights of Crassanine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crassanine. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Crassanine. Following Lipinski's Rule of Five, Crassanine has 1 hydrogen bond donor(s) and 6 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 Crassanine?
The CAS number of Crassanine is 16790-92-4.
What is the molecular formula of Crassanine?
The molecular formula of Crassanine is C23H30N2O5.
What is the molecular weight of Crassanine?
The molecular weight of Crassanine is 414.22 g/mol.
Where can I buy Crassanine?
You can request a quote for Crassanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crassanine?
Yes, KEHONG BIO provides custom synthesis services for Crassanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.