![Octanol, acetate, mono[(acetyloxy)methyl] deriv. structure](/static/products/8013/80135-19-9.webp)
Octanol, acetate, mono[(acetyloxy)methyl] deriv.
TL;DR: Octanol, acetate, mono[(acetyloxy)methyl] deriv. (CAS 80135-19-9) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxynonyl acetate
Also Known As: 2-acetyloxynonyl acetate, Mono((acetyloxy)methyl)octanol acetate, Octyl acetate, mono(methyl acetate) derivative, Octanol, acetate, mono((acetyloxy)methyl) deriv., Octanol, acetate, mono(acetyloxy)methyl deriv.
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 80135-19-9 |
|---|---|
| SMILES | CCCCCCCC(COC(=O)C)OC(=O)C |
| InChIKey | FLTHTXOHIZKWMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanol, acetate, mono[(acetyloxy)methyl] deriv. (CAS 80135-19-9), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: 2-acetyloxynonyl acetate.
Chemical Property Profile of Octanol, acetate, mono[(acetyloxy)methyl] deriv.
Property Insights of Octanol, acetate, mono[(acetyloxy)methyl] deriv.
The XLogP value of 3.5 indicates that Octanol, acetate, mono[(acetyloxy)methyl] deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Octanol, acetate, mono[(acetyloxy)methyl] deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanol, acetate, mono[(acetyloxy)methyl] deriv. 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 Octanol, acetate, mono[(acetyloxy)methyl] deriv.?
The CAS number of Octanol, acetate, mono[(acetyloxy)methyl] deriv. is 80135-19-9.
What is the molecular formula of Octanol, acetate, mono[(acetyloxy)methyl] deriv.?
The molecular formula of Octanol, acetate, mono[(acetyloxy)methyl] deriv. is C13H24O4.
What is the molecular weight of Octanol, acetate, mono[(acetyloxy)methyl] deriv.?
The molecular weight of Octanol, acetate, mono[(acetyloxy)methyl] deriv. is 244.17 g/mol.
Where can I buy Octanol, acetate, mono[(acetyloxy)methyl] deriv.?
You can request a quote for Octanol, acetate, mono[(acetyloxy)methyl] deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanol, acetate, mono[(acetyloxy)methyl] deriv.?
Yes, KEHONG BIO provides custom synthesis services for Octanol, acetate, mono[(acetyloxy)methyl] deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.