4-甲基壬酸
TL;DR: 4-甲基壬酸 (CAS 45019-28-1) 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-甲基壬酸
4-methylnonanoic acid
Also Known As: 4-Methylnonanoic acid, Nonanoic acid, 4-methyl-, 4-Methylpelargonic acid, null, 4-methyl nonanoic 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 | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
| Boiling Point | 292.00 to 293.00 °C. @ 760.00 mm Hg |
| Density | 0.900-0.909 (20°/20°) |
| Solubility | insoluble in water |
| Refractive Index | 1.433-1.44 |
Chemical Identifiers
| CAS Number | 45019-28-1 |
|---|---|
| SMILES | CCCCCC(C)CCC(=O)O |
| InChIKey | WQTZCQIRCYSUBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基壬酸 (CAS 45019-28-1), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 4-methylnonanoic acid.
Chemical Property Profile of 4-甲基壬酸
Property Insights of 4-甲基壬酸
The XLogP value of 3.6 indicates that 4-甲基壬酸 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-甲基壬酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基壬酸 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-甲基壬酸?
The CAS number of 4-甲基壬酸 is 45019-28-1.
What is the molecular formula of 4-甲基壬酸?
The molecular formula of 4-甲基壬酸 is C10H20O2.
What is the molecular weight of 4-甲基壬酸?
The molecular weight of 4-甲基壬酸 is 172.15 g/mol.
Where can I buy 4-甲基壬酸?
You can request a quote for 4-甲基壬酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基壬酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基壬酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.