3,7-Dimethyl-1-octyl propionate
TL;DR: 3,7-Dimethyl-1-octyl propionate (CAS 93804-81-0) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloctyl propanoate
Also Known As: 3,7-Dimethyl-1-octyl propionate, 3,7-dimethyloctyl Propanoate, EINECS 298-459-7, Propionic acid 3,7-dimethyloctyl ester
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 3.7921 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 163.91888 |
Chemical Identifiers
| CAS Number | 93804-81-0 |
|---|---|
| SMILES | CCC(=O)OCCC(C)CCCC(C)C |
Product Overview
3,7-Dimethyl-1-octyl propionate (CAS 93804-81-0), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: 3,7-dimethyloctyl propanoate.
Chemical Property Profile of 3,7-Dimethyl-1-octyl propionate
Property Insights of 3,7-Dimethyl-1-octyl propionate
The XLogP value of 3.7921 indicates that 3,7-Dimethyl-1-octyl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-Dimethyl-1-octyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-1-octyl propionate has 0 hydrogen bond donor(s) and 2 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 3,7-Dimethyl-1-octyl propionate?
The CAS number of 3,7-Dimethyl-1-octyl propionate is 93804-81-0.
What is the molecular formula of 3,7-Dimethyl-1-octyl propionate?
The molecular formula of 3,7-Dimethyl-1-octyl propionate is C13H26O2.
What is the molecular weight of 3,7-Dimethyl-1-octyl propionate?
The molecular weight of 3,7-Dimethyl-1-octyl propionate is 214.19 g/mol.
Where can I buy 3,7-Dimethyl-1-octyl propionate?
You can request a quote for 3,7-Dimethyl-1-octyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyl-1-octyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-1-octyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.