3-乙基庚酸
TL;DR: 3-乙基庚酸 (CAS 42330-40-5) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙基庚酸
3-ethylheptanoic acid
Also Known As: 3-Ethylheptanoic acid, 3-ETHYLHEPTANOICACID, 3-ethyl-heptanoic acid, Heptanoicacid,3-ethyl-, Heptanoic acid, 3-ethyl-
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 42330-40-5 |
|---|---|
| SMILES | CCCCC(CC)CC(=O)O |
| InChIKey | MCLMZMISZCYBBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙基庚酸 (CAS 42330-40-5), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 3-ethylheptanoic acid.
Chemical Property Profile of 3-乙基庚酸
Property Insights of 3-乙基庚酸
The XLogP value of 3.2 indicates that 3-乙基庚酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-乙基庚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙基庚酸 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-乙基庚酸?
The CAS number of 3-乙基庚酸 is 42330-40-5.
What is the molecular formula of 3-乙基庚酸?
The molecular formula of 3-乙基庚酸 is C9H18O2.
What is the molecular weight of 3-乙基庚酸?
The molecular weight of 3-乙基庚酸 is 158.13 g/mol.
Where can I buy 3-乙基庚酸?
You can request a quote for 3-乙基庚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙基庚酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙基庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.