2-Ethylheptyl formate
TL;DR: 2-Ethylheptyl formate (CAS 94200-06-3) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylheptyl formate
Also Known As: 2-Ethylheptyl formate, EINECS 303-482-3, Formic acid 2-ethylheptyl ester, 1-Heptanol, 2-ethyl-, 1-formate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.7659 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 102.0117 |
Chemical Identifiers
| CAS Number | 94200-06-3 |
|---|---|
| SMILES | CCCCCC(CC)COC=O |
Product Overview
2-Ethylheptyl formate (CAS 94200-06-3), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2-ethylheptyl formate.
Chemical Property Profile of 2-Ethylheptyl formate
Property Insights of 2-Ethylheptyl formate
The XLogP value of 2.7659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylheptyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethylheptyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylheptyl formate 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 2-Ethylheptyl formate?
The CAS number of 2-Ethylheptyl formate is 94200-06-3.
What is the molecular formula of 2-Ethylheptyl formate?
The molecular formula of 2-Ethylheptyl formate is C10H20O2.
What is the molecular weight of 2-Ethylheptyl formate?
The molecular weight of 2-Ethylheptyl formate is 172.15 g/mol.
Where can I buy 2-Ethylheptyl formate?
You can request a quote for 2-Ethylheptyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylheptyl formate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylheptyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.