二戊基乙酸
TL;DR: 二戊基乙酸 (CAS 5422-52-6) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二戊基乙酸
2-pentylheptanoic acid
Also Known As: 2-pentylheptanoic acid, Dipentylacetic acid, Diamylacetic acid, Dipentylessigsaeure, di-n-Amylacetic acid
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 5422-52-6 |
|---|---|
| SMILES | CCCCCC(CCCCC)C(=O)O |
| InChIKey | PLVOWOHSFJLXOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二戊基乙酸 (CAS 5422-52-6), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 2-pentylheptanoic acid.
Chemical Property Profile of 二戊基乙酸
Property Insights of 二戊基乙酸
The XLogP value of 4.3 indicates that 二戊基乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 二戊基乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二戊基乙酸 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 二戊基乙酸?
The CAS number of 二戊基乙酸 is 5422-52-6.
What is the molecular formula of 二戊基乙酸?
The molecular formula of 二戊基乙酸 is C12H24O2.
What is the molecular weight of 二戊基乙酸?
The molecular weight of 二戊基乙酸 is 200.18 g/mol.
Where can I buy 二戊基乙酸?
You can request a quote for 二戊基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二戊基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 二戊基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.