1,3-Octanediol, 2-methyl-, 1,3-diacetate
TL;DR: 1,3-Octanediol, 2-methyl-, 1,3-diacetate (CAS 67634-09-7) 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.
(3-acetyloxy-2-methyloctyl) acetate
Also Known As: 2-Methyloctane-1,3-diyl diacetate, (3-acetyloxy-2-methyloctyl) acetate, 2-methyloctane-1,3-diyldiacetate, 1,3-Octanediol, 2-methyl-, diacetate, 1,3-Octanediol, 2-methyl-, 1,3-diacetate
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 67634-09-7 |
|---|---|
| SMILES | CCCCCC(C(C)COC(=O)C)OC(=O)C |
| InChIKey | TVGYJOZXWMFEJX-UHFFFAOYSA-N |
Product Overview
1,3-Octanediol, 2-methyl-, 1,3-diacetate (CAS 67634-09-7), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: (3-acetyloxy-2-methyloctyl) acetate.
Chemical Property Profile of 1,3-Octanediol, 2-methyl-, 1,3-diacetate
Property Insights of 1,3-Octanediol, 2-methyl-, 1,3-diacetate
The XLogP value of 3.2 indicates that 1,3-Octanediol, 2-methyl-, 1,3-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Octanediol, 2-methyl-, 1,3-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Octanediol, 2-methyl-, 1,3-diacetate 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 1,3-Octanediol, 2-methyl-, 1,3-diacetate?
The CAS number of 1,3-Octanediol, 2-methyl-, 1,3-diacetate is 67634-09-7.
What is the molecular formula of 1,3-Octanediol, 2-methyl-, 1,3-diacetate?
The molecular formula of 1,3-Octanediol, 2-methyl-, 1,3-diacetate is C13H24O4.
What is the molecular weight of 1,3-Octanediol, 2-methyl-, 1,3-diacetate?
The molecular weight of 1,3-Octanediol, 2-methyl-, 1,3-diacetate is 244.17 g/mol.
Where can I buy 1,3-Octanediol, 2-methyl-, 1,3-diacetate?
You can request a quote for 1,3-Octanediol, 2-methyl-, 1,3-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Octanediol, 2-methyl-, 1,3-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Octanediol, 2-methyl-, 1,3-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.