4-甲基辛酸
TL;DR: 4-甲基辛酸 (CAS 54947-74-9) 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.
4-甲基辛酸
4-methyloctanoic acid
Also Known As: 4-Methyloctanoic acid, Octanoic acid, 4-methyl-, 4-Methylcaprylic acid, null, 4-methyl-octanoic acid
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
| Density | 0.900-0.908 (20°/20°) |
| Refractive Index | 1.433-1.440 |
Chemical Identifiers
| CAS Number | 54947-74-9 |
|---|---|
| SMILES | CCCCC(C)CCC(=O)O |
| InChIKey | LEGGANXCVQPIAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基辛酸 (CAS 54947-74-9), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 4-methyloctanoic acid.
Chemical Property Profile of 4-甲基辛酸
Property Insights of 4-甲基辛酸
The XLogP value of 3.0 indicates that 4-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-甲基辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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-甲基辛酸?
The CAS number of 4-甲基辛酸 is 54947-74-9.
What is the molecular formula of 4-甲基辛酸?
The molecular formula of 4-甲基辛酸 is C9H18O2.
What is the molecular weight of 4-甲基辛酸?
The molecular weight of 4-甲基辛酸 is 158.13 g/mol.
Where can I buy 4-甲基辛酸?
You can request a quote for 4-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-甲基辛酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.