3-乙基戊酸
TL;DR: 3-乙基戊酸 (CAS 58888-87-2) is a chemical compound with molecular formula CCC(CC)CC(=O)O and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙基戊酸
3-ethylpentanoic acid
Also Known As: 3-Ethylpentanoic acid, Pentanoic acid, 3-ethyl-, 3-ethylvaleric acid, 3-Ethylpentanoicacid, 3-ethyl-pentanoic acid
| Molecular Formula | CCC(CC)CC(=O)O |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 58888-87-2 |
|---|---|
| SMILES | CCC(CC)CC(=O)O |
| InChIKey | ATUUSOSLBXVJKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙基戊酸 (CAS 58888-87-2), with molecular formula CCC(CC)CC(=O)O and molecular weight 130.10 g/mol. IUPAC: 3-ethylpentanoic acid.
Chemical Property Profile of 3-乙基戊酸
Property Insights of 3-乙基戊酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙基戊酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-乙基戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙基戊酸 has 1 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-乙基戊酸?
The CAS number of 3-乙基戊酸 is 58888-87-2.
What is the molecular formula of 3-乙基戊酸?
The molecular formula of 3-乙基戊酸 is CCC(CC)CC(=O)O.
What is the molecular weight of 3-乙基戊酸?
The molecular weight of 3-乙基戊酸 is 130.10 g/mol.
Where can I buy 3-乙基戊酸?
You can request a quote for 3-乙基戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙基戊酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙基戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.