1-Acetylcur-16-en-20-ol
TL;DR: 1-Acetylcur-16-en-20-ol (CAS 2111-98-0) 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-(12-ethyl-12-hydroxy-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl)ethanone
Also Known As: 1-Acetylcur-16-en-20-ol, 1-Acetylcur-16-en-20-ol #, Strychane, 1-acetyl-20.alpha.-hydroxy-16-methylene-
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 1.7 |
| 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 | 633.0 |
Chemical Identifiers
| CAS Number | 2111-98-0 |
|---|---|
| SMILES | CCC1(CN2CCC34C2CC1C(=C)C3N(C5=CC=CC=C45)C(=O)C)O |
| InChIKey | OHCRVIYCXACEBO-UHFFFAOYSA-N |
Product Overview
1-Acetylcur-16-en-20-ol (CAS 2111-98-0), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: 1-(12-ethyl-12-hydroxy-10-methylidene-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-Acetylcur-16-en-20-ol
Property Insights of 1-Acetylcur-16-en-20-ol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetylcur-16-en-20-ol. With a topological polar surface area (TPSA) of 43.8 Ų, 1-Acetylcur-16-en-20-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetylcur-16-en-20-ol 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-Acetylcur-16-en-20-ol?
The CAS number of 1-Acetylcur-16-en-20-ol is 2111-98-0.
What is the molecular formula of 1-Acetylcur-16-en-20-ol?
The molecular formula of 1-Acetylcur-16-en-20-ol is C21H26N2O2.
What is the molecular weight of 1-Acetylcur-16-en-20-ol?
The molecular weight of 1-Acetylcur-16-en-20-ol is 338.20 g/mol.
Where can I buy 1-Acetylcur-16-en-20-ol?
You can request a quote for 1-Acetylcur-16-en-20-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetylcur-16-en-20-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetylcur-16-en-20-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.