1-(17-Hydroxycur-19-en-1-yl)ethan-1-one
TL;DR: 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one (CAS 10388-62-2) 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,10R,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: Isoretuline, 16-epiretuline, 16-isoretuline, 16-Isoretuline (7CI,8CI), 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one
| 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 | 10388-62-2 |
|---|---|
| SMILES | CC=C1CN2CCC34[C@@H]2C[C@@H]1[C@H]([C@@H]3N(C5=CC=CC=C45)C(=O)C)CO |
| InChIKey | IJTKEUDLEABZCZ-CLRGLAINSA-N |
Product Overview
1-(17-Hydroxycur-19-en-1-yl)ethan-1-one (CAS 10388-62-2), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: 1-[(9S,10R,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 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one
Property Insights of 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one. With a topological polar surface area (TPSA) of 43.8 Ų, 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one 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 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one?
The CAS number of 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one is 10388-62-2.
What is the molecular formula of 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one?
The molecular formula of 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one is C21H26N2O2.
What is the molecular weight of 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one?
The molecular weight of 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one is 338.20 g/mol.
Where can I buy 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one?
You can request a quote for 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(17-Hydroxycur-19-en-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.