2-((1-乙基戊基)氧基)乙酸
TL;DR: 2-((1-乙基戊基)氧基)乙酸 (CAS 92759-90-5) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-((1-乙基戊基)氧基)乙酸
2-heptan-3-yloxyacetic acid
Also Known As: 2-((1-Ethylpentyl)oxy)acetic acid, 2-heptan-3-yloxyacetic acid, Acetic acid, ((1-ethylpentyl)oxy)-, Acetic acid, 2-((1-ethylpentyl)oxy)-, 2-(heptan-3-yloxy)acetic acid
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 92759-90-5 |
|---|---|
| SMILES | CCCCC(CC)OCC(=O)O |
| InChIKey | HIMHBQQZMDPFSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((1-乙基戊基)氧基)乙酸 (CAS 92759-90-5), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 2-heptan-3-yloxyacetic acid.
Chemical Property Profile of 2-((1-乙基戊基)氧基)乙酸
Property Insights of 2-((1-乙基戊基)氧基)乙酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-乙基戊基)氧基)乙酸. With a topological polar surface area (TPSA) of 46.5 Ų, 2-((1-乙基戊基)氧基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((1-乙基戊基)氧基)乙酸 has 1 hydrogen bond donor(s) and 3 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-((1-乙基戊基)氧基)乙酸?
The CAS number of 2-((1-乙基戊基)氧基)乙酸 is 92759-90-5.
What is the molecular formula of 2-((1-乙基戊基)氧基)乙酸?
The molecular formula of 2-((1-乙基戊基)氧基)乙酸 is C9H18O3.
What is the molecular weight of 2-((1-乙基戊基)氧基)乙酸?
The molecular weight of 2-((1-乙基戊基)氧基)乙酸 is 174.13 g/mol.
Where can I buy 2-((1-乙基戊基)氧基)乙酸?
You can request a quote for 2-((1-乙基戊基)氧基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-乙基戊基)氧基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-乙基戊基)氧基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.