3-乙基-3-甲基庚酸
TL;DR: 3-乙基-3-甲基庚酸 (CAS 70289-01-9) 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.
3-乙基-3-甲基庚酸
3-ethyl-3-methylheptanoic acid
Also Known As: Heptanoic acid, 3-ethyl-3-methyl-, 3-ethyl-3-methylheptanoic acid
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 70289-01-9 |
|---|---|
| SMILES | CCCCC(C)(CC)CC(=O)O |
| InChIKey | DFXIEQPEDLPPFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙基-3-甲基庚酸 (CAS 70289-01-9), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 3-ethyl-3-methylheptanoic acid.
Chemical Property Profile of 3-乙基-3-甲基庚酸
Property Insights of 3-乙基-3-甲基庚酸
The XLogP value of 3.6 indicates that 3-乙基-3-甲基庚酸 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-3-甲基庚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙基-3-甲基庚酸 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-3-甲基庚酸?
The CAS number of 3-乙基-3-甲基庚酸 is 70289-01-9.
What is the molecular formula of 3-乙基-3-甲基庚酸?
The molecular formula of 3-乙基-3-甲基庚酸 is C10H20O2.
What is the molecular weight of 3-乙基-3-甲基庚酸?
The molecular weight of 3-乙基-3-甲基庚酸 is 172.15 g/mol.
Where can I buy 3-乙基-3-甲基庚酸?
You can request a quote for 3-乙基-3-甲基庚酸 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-3-甲基庚酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙基-3-甲基庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.