2-丙基庚酸
TL;DR: 2-丙基庚酸 (CAS 31080-39-4) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丙基庚酸
2-propylheptanoic acid
Also Known As: 2-n-Propylheptanoic acid, 2-PROPYLHEPTANOIC ACID, Heptanoic acid, 2-propyl-, 2-Propylheptanic acid, 2-Propylheptansaeure
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 31080-39-4 |
|---|---|
| SMILES | CCCCCC(CCC)C(=O)O |
| InChIKey | RXGPYPPCEXISOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丙基庚酸 (CAS 31080-39-4), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2-propylheptanoic acid.
Chemical Property Profile of 2-丙基庚酸
Property Insights of 2-丙基庚酸
The XLogP value of 3.2 indicates that 2-丙基庚酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-丙基庚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丙基庚酸 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 2-丙基庚酸?
The CAS number of 2-丙基庚酸 is 31080-39-4.
What is the molecular formula of 2-丙基庚酸?
The molecular formula of 2-丙基庚酸 is C10H20O2.
What is the molecular weight of 2-丙基庚酸?
The molecular weight of 2-丙基庚酸 is 172.15 g/mol.
Where can I buy 2-丙基庚酸?
You can request a quote for 2-丙基庚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丙基庚酸?
Yes, KEHONG BIO provides custom synthesis services for 2-丙基庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.