4,6-二甲基辛酸
TL;DR: 4,6-二甲基辛酸 (CAS 2553-96-0) 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.
4,6-二甲基辛酸
4,6-dimethyloctanoic acid
Also Known As: 4,6-DIMETHYLOCTANOIC ACID, 4-Mercapto-resorcin, 4,6-Dimethyloctanoato(3-), J2.368.508F
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.3 |
| 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 | 132.0 |
Chemical Identifiers
| CAS Number | 2553-96-0 |
|---|---|
| SMILES | CCC(C)CC(C)CCC(=O)O |
| InChIKey | LMFRDZYWEWGVPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-二甲基辛酸 (CAS 2553-96-0), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 4,6-dimethyloctanoic acid.
Chemical Property Profile of 4,6-二甲基辛酸
Property Insights of 4,6-二甲基辛酸
The XLogP value of 3.3 indicates that 4,6-二甲基辛酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4,6-二甲基辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-二甲基辛酸 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 4,6-二甲基辛酸?
The CAS number of 4,6-二甲基辛酸 is 2553-96-0.
What is the molecular formula of 4,6-二甲基辛酸?
The molecular formula of 4,6-二甲基辛酸 is C10H20O2.
What is the molecular weight of 4,6-二甲基辛酸?
The molecular weight of 4,6-二甲基辛酸 is 172.15 g/mol.
Where can I buy 4,6-二甲基辛酸?
You can request a quote for 4,6-二甲基辛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-二甲基辛酸?
Yes, KEHONG BIO provides custom synthesis services for 4,6-二甲基辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.