Crotaverrine
TL;DR: Crotaverrine (CAS 57194-70-4) is a chemical compound with molecular formula C19H27NO6 and molecular weight 365.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
Also Known As: Crotaverrine, Senkirkine, Neosenkirkine, 4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione, (1R,4Z,6R,7R,17S)-4-Ethylidene-7,17-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
| Molecular Formula | C19H27NO6 |
|---|---|
| Molecular Weight | 365.18 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 365.18384 |
| Heavy Atoms | 26 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 57194-70-4 |
|---|---|
| SMILES | CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C |
| InChIKey | HPDHKHMHQGCNPE-UHFFFAOYSA-N |
Product Overview
Crotaverrine (CAS 57194-70-4), with molecular formula C19H27NO6 and molecular weight 365.18 g/mol. IUPAC: 4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione.
Chemical Property Profile of Crotaverrine
Property Insights of Crotaverrine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotaverrine. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotaverrine. Following Lipinski's Rule of Five, Crotaverrine has 1 hydrogen bond donor(s) and 7 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 Crotaverrine?
The CAS number of Crotaverrine is 57194-70-4.
What is the molecular formula of Crotaverrine?
The molecular formula of Crotaverrine is C19H27NO6.
What is the molecular weight of Crotaverrine?
The molecular weight of Crotaverrine is 365.18 g/mol.
Where can I buy Crotaverrine?
You can request a quote for Crotaverrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotaverrine?
Yes, KEHONG BIO provides custom synthesis services for Crotaverrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.