4-(Acetyloxy)octahydro-1-pentalenyl acetate
TL;DR: 4-(Acetyloxy)octahydro-1-pentalenyl acetate (CAS 17572-85-9) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl) acetate
Also Known As: 4-(Acetyloxy)octahydro-1-pentalenyl acetate, 2,6-Diacetoxybicyclo[3,3,0]octane, Octahydropentalene-1,4-diyl diacetate, (4-acetyloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl) acetate, 4-(Acetyloxy)octahydro-1-pentalenyl acetate #
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 17572-85-9 |
|---|---|
| SMILES | CC(=O)OC1CCC2C1CCC2OC(=O)C |
| InChIKey | HYVIARUUVHVLHF-UHFFFAOYSA-N |
Product Overview
4-(Acetyloxy)octahydro-1-pentalenyl acetate (CAS 17572-85-9), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: (4-acetyloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl) acetate.
Chemical Property Profile of 4-(Acetyloxy)octahydro-1-pentalenyl acetate
Property Insights of 4-(Acetyloxy)octahydro-1-pentalenyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetyloxy)octahydro-1-pentalenyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 4-(Acetyloxy)octahydro-1-pentalenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Acetyloxy)octahydro-1-pentalenyl acetate 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 4-(Acetyloxy)octahydro-1-pentalenyl acetate?
The CAS number of 4-(Acetyloxy)octahydro-1-pentalenyl acetate is 17572-85-9.
What is the molecular formula of 4-(Acetyloxy)octahydro-1-pentalenyl acetate?
The molecular formula of 4-(Acetyloxy)octahydro-1-pentalenyl acetate is C12H18O4.
What is the molecular weight of 4-(Acetyloxy)octahydro-1-pentalenyl acetate?
The molecular weight of 4-(Acetyloxy)octahydro-1-pentalenyl acetate is 226.12 g/mol.
Where can I buy 4-(Acetyloxy)octahydro-1-pentalenyl acetate?
You can request a quote for 4-(Acetyloxy)octahydro-1-pentalenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetyloxy)octahydro-1-pentalenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetyloxy)octahydro-1-pentalenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.