4-甲基己酸
TL;DR: 4-甲基己酸 (CAS 1561-11-1) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基己酸
4-methylhexanoic acid
Also Known As: 4-METHYLHEXANOIC ACID, Hexanoic acid, 4-methyl-, 4-METHYLHEXANOICACID, 4-methylcaproic acid, 4-methylhexansure
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 1561-11-1 |
|---|---|
| SMILES | CCC(C)CCC(=O)O |
| InChIKey | DIVCBWJKVSFZKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基己酸 (CAS 1561-11-1), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 4-methylhexanoic acid.
Chemical Property Profile of 4-甲基己酸
Property Insights of 4-甲基己酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基己酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-甲基己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基己酸 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-甲基己酸?
The CAS number of 4-甲基己酸 is 1561-11-1.
What is the molecular formula of 4-甲基己酸?
The molecular formula of 4-甲基己酸 is C7H14O2.
What is the molecular weight of 4-甲基己酸?
The molecular weight of 4-甲基己酸 is 130.10 g/mol.
Where can I buy 4-甲基己酸?
You can request a quote for 4-甲基己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基己酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.