7-Deacetoxyolepupuane
TL;DR: 7-Deacetoxyolepupuane (CAS 134822-40-5) is a chemical compound with molecular formula C17H26O3 and molecular weight 278.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5aS,9aS,9bR)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-yl] acetate
Also Known As: 7-Deacetoxyolepupuane, [(1S,5aS,9aS,9bR)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-yl] acetate, (1S,5aS,9aS,9bR)-6,6,9a-trimethyl-1,4,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-1-yl acetate, Naphtho(1,2-c)furan-1-ol, 1,4,5,5a,6,7,8,9,9a,9b-decahydro-6,6,9a-trimethyl-, acetate, (1S-(1alpha,5aalpha,9abeta,9balpha))-, (6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-yl) acetate
| Molecular Formula | C17H26O3 |
|---|---|
| Molecular Weight | 278.19 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.1882 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 134822-40-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@H]2C(=CO1)CC[C@@H]3[C@@]2(CCCC3(C)C)C |
| InChIKey | VTWFKCAENOAYPA-IVSAIRAKSA-N |
Product Overview
7-Deacetoxyolepupuane (CAS 134822-40-5), with molecular formula C17H26O3 and molecular weight 278.19 g/mol. IUPAC: [(1S,5aS,9aS,9bR)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-yl] acetate.
Chemical Property Profile of 7-Deacetoxyolepupuane
Property Insights of 7-Deacetoxyolepupuane
The XLogP value of 4.3 indicates that 7-Deacetoxyolepupuane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 7-Deacetoxyolepupuane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Deacetoxyolepupuane has 0 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 7-Deacetoxyolepupuane?
The CAS number of 7-Deacetoxyolepupuane is 134822-40-5.
What is the molecular formula of 7-Deacetoxyolepupuane?
The molecular formula of 7-Deacetoxyolepupuane is C17H26O3.
What is the molecular weight of 7-Deacetoxyolepupuane?
The molecular weight of 7-Deacetoxyolepupuane is 278.19 g/mol.
Where can I buy 7-Deacetoxyolepupuane?
You can request a quote for 7-Deacetoxyolepupuane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deacetoxyolepupuane?
Yes, KEHONG BIO provides custom synthesis services for 7-Deacetoxyolepupuane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.