O-Acetylretuline
TL;DR: O-Acetylretuline (CAS 18397-05-2) is a chemical compound with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,10S,11R,17S)-8-acetyl-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methyl acetate
Also Known As: O-Acetylretuline, 1-Acetylcur-19-en-17-yl acetate, 1-Acetyl-16alpha-cur-19-en-17-yl acetate, Curan-17-ol, 1-acetyl-19,20-didehydro-, acetate (ester), (16a,19E)-
| Molecular Formula | C23H28N2O3 |
|---|---|
| Molecular Weight | 380.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.21 |
| Heavy Atoms | 28 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 18397-05-2 |
|---|---|
| SMILES | CC=C1CN2CCC34[C@@H]2C[C@@H]1[C@@H]([C@@H]3N(C5=CC=CC=C45)C(=O)C)COC(=O)C |
| InChIKey | PTRWORWVJKGZCI-IDASFKSMSA-N |
Product Overview
O-Acetylretuline (CAS 18397-05-2), with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol. IUPAC: [(9S,10S,11R,17S)-8-acetyl-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methyl acetate.
Chemical Property Profile of O-Acetylretuline
Property Insights of O-Acetylretuline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Acetylretuline. With a topological polar surface area (TPSA) of 49.9 Ų, O-Acetylretuline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Acetylretuline has 0 hydrogen bond donor(s) and 4 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 O-Acetylretuline?
The CAS number of O-Acetylretuline is 18397-05-2.
What is the molecular formula of O-Acetylretuline?
The molecular formula of O-Acetylretuline is C23H28N2O3.
What is the molecular weight of O-Acetylretuline?
The molecular weight of O-Acetylretuline is 380.21 g/mol.
Where can I buy O-Acetylretuline?
You can request a quote for O-Acetylretuline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Acetylretuline?
Yes, KEHONG BIO provides custom synthesis services for O-Acetylretuline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.