2-乙氧基戊酸
TL;DR: 2-乙氧基戊酸 (CAS 90937-93-2) is a chemical compound with molecular formula CCCC(C(=O)O)OCC and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙氧基戊酸
2-ethoxypentanoic acid
Also Known As: 2-Ethoxypentanoic acid, 2-Aethoxy-valeriansaeure, Pentanoic acid, 2-ethoxy-, 2-ETHOXYPENTANOICACID, 996-434-1
| Molecular Formula | CCCC(C(=O)O)OCC |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 90937-93-2 |
|---|---|
| SMILES | CCCC(C(=O)O)OCC |
| InChIKey | QPVYHONHMKBUJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙氧基戊酸 (CAS 90937-93-2), with molecular formula CCCC(C(=O)O)OCC and molecular weight 146.09 g/mol. IUPAC: 2-ethoxypentanoic acid.
Chemical Property Profile of 2-乙氧基戊酸
Property Insights of 2-乙氧基戊酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙氧基戊酸. With a topological polar surface area (TPSA) of 46.5 Ų, 2-乙氧基戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙氧基戊酸 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-乙氧基戊酸?
The CAS number of 2-乙氧基戊酸 is 90937-93-2.
What is the molecular formula of 2-乙氧基戊酸?
The molecular formula of 2-乙氧基戊酸 is CCCC(C(=O)O)OCC.
What is the molecular weight of 2-乙氧基戊酸?
The molecular weight of 2-乙氧基戊酸 is 146.09 g/mol.
Where can I buy 2-乙氧基戊酸?
You can request a quote for 2-乙氧基戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙氧基戊酸?
Yes, KEHONG BIO provides custom synthesis services for 2-乙氧基戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.