2-庚氧基乙酸
TL;DR: 2-庚氧基乙酸 (CAS 3966-20-9) 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-庚氧基乙酸
2-heptoxyacetic acid
Also Known As: 2-heptoxyacetic acid, Heptyloxy-essigsaeure, Aceticacid, 2-(heptyloxy)-, (HEPTYLOXY)ACETIC ACID
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 3966-20-9 |
|---|---|
| SMILES | CCCCCCCOCC(=O)O |
| InChIKey | YMAXCKYGIGCLPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-庚氧基乙酸 (CAS 3966-20-9), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 2-heptoxyacetic acid.
Chemical Property Profile of 2-庚氧基乙酸
Property Insights of 2-庚氧基乙酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-庚氧基乙酸. With a topological polar surface area (TPSA) of 46.5 Ų, 2-庚氧基乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-庚氧基乙酸 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-庚氧基乙酸?
The CAS number of 2-庚氧基乙酸 is 3966-20-9.
What is the molecular formula of 2-庚氧基乙酸?
The molecular formula of 2-庚氧基乙酸 is C9H18O3.
What is the molecular weight of 2-庚氧基乙酸?
The molecular weight of 2-庚氧基乙酸 is 174.13 g/mol.
Where can I buy 2-庚氧基乙酸?
You can request a quote for 2-庚氧基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-庚氧基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-庚氧基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.