4,5-二甲基辛酸
TL;DR: 4,5-二甲基辛酸 (CAS 102877-57-6) 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.
4,5-二甲基辛酸
4,5-dimethyloctanoic acid
Also Known As: 4,5-dimethyloctanoic Acid, Octanoic acid, 4,5-dimethyl-, 5-Hydroxy-1,2,3,4-tetrahydroisoquinoline, J2.368.584A, RefChem:1069407
| 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 | 102877-57-6 |
|---|---|
| SMILES | CCCC(C)C(C)CCC(=O)O |
| InChIKey | XDXGYWWRGNESEZ-UHFFFAOYSA-N |
Product Overview
4,5-二甲基辛酸 (CAS 102877-57-6), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 4,5-dimethyloctanoic acid.
Chemical Property Profile of 4,5-二甲基辛酸
Property Insights of 4,5-二甲基辛酸
The XLogP value of 3.3 indicates that 4,5-二甲基辛酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4,5-二甲基辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-二甲基辛酸 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 4,5-二甲基辛酸?
The CAS number of 4,5-二甲基辛酸 is 102877-57-6.
What is the molecular formula of 4,5-二甲基辛酸?
The molecular formula of 4,5-二甲基辛酸 is C10H20O2.
What is the molecular weight of 4,5-二甲基辛酸?
The molecular weight of 4,5-二甲基辛酸 is 172.15 g/mol.
Where can I buy 4,5-二甲基辛酸?
You can request a quote for 4,5-二甲基辛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二甲基辛酸?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二甲基辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.