2,6-二甲基庚酸
TL;DR: 2,6-二甲基庚酸 (CAS 7494-12-4) 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.
2,6-二甲基庚酸
2,6-dimethylheptanoic acid
Also Known As: 2,6-DIMETHYLHEPTANOIC ACID, 2,6-dimethyl-heptanoicacid, D,L-2,6-Dimethylheptanoic acid, 2,6-dimethyl-heptanoic acid, DL-2,6-dimethyl heptanoic acid
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 7494-12-4 |
|---|---|
| SMILES | CC(C)CCCC(C)C(=O)O |
| InChIKey | MDAPKSVKYITQHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二甲基庚酸 (CAS 7494-12-4), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2,6-dimethylheptanoic acid.
Chemical Property Profile of 2,6-二甲基庚酸
Property Insights of 2,6-二甲基庚酸
The XLogP value of 3.1 indicates that 2,6-二甲基庚酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2,6-二甲基庚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二甲基庚酸 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 2,6-二甲基庚酸?
The CAS number of 2,6-二甲基庚酸 is 7494-12-4.
What is the molecular formula of 2,6-二甲基庚酸?
The molecular formula of 2,6-二甲基庚酸 is C9H18O2.
What is the molecular weight of 2,6-二甲基庚酸?
The molecular weight of 2,6-二甲基庚酸 is 158.13 g/mol.
Where can I buy 2,6-二甲基庚酸?
You can request a quote for 2,6-二甲基庚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二甲基庚酸?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二甲基庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.