Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)-
TL;DR: Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)- (CAS 2616-16-2) is a chemical compound with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(9S,10S,11R,17S)-12-ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
Also Known As: RETULINE, Isoretuline, Retuline (7CI,8CI), Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)-, 1-[(9S,10S,11R,17S)-12-ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 2616-16-2 |
|---|---|
| SMILES | CC=C1CN2CCC34[C@@H]2C[C@@H]1[C@@H]([C@@H]3N(C5=CC=CC=C45)C(=O)C)CO |
| InChIKey | IJTKEUDLEABZCZ-DMNBKKMASA-N |
Product Overview
Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)- (CAS 2616-16-2), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: 1-[(9S,10S,11R,17S)-12-ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone.
Chemical Property Profile of Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)-
Property Insights of Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)-. With a topological polar surface area (TPSA) of 43.8 Ų, Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)- has 1 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 Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)-?
The CAS number of Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)- is 2616-16-2.
What is the molecular formula of Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)-?
The molecular formula of Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)- is C21H26N2O2.
What is the molecular weight of Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)-?
The molecular weight of Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)- is 338.20 g/mol.
Where can I buy Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)-?
You can request a quote for Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)-?
Yes, KEHONG BIO provides custom synthesis services for Curan-17-ol, 1-acetyl-19,20-didehydro-, (16-alpha,19E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.