5-甲基-4-氧代己酸
TL;DR: 5-甲基-4-氧代己酸 (CAS 41654-04-0) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲基-4-氧代己酸
5-methyl-4-oxohexanoic acid
Also Known As: 5-METHYL-4-OXOHEXANOIC ACID, 5-METHYL-4-OXO-HEXANOIC ACID, 4-Oxo-5-methylhexanoic acid, 5-methyl-4-oxohexanoate, Hexanoic acid, 5-methyl-4-oxo-
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 41654-04-0 |
|---|---|
| SMILES | CC(C)C(=O)CCC(=O)O |
| InChIKey | GQWLYLDUDAANSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基-4-氧代己酸 (CAS 41654-04-0), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 5-methyl-4-oxohexanoic acid.
Chemical Property Profile of 5-甲基-4-氧代己酸
Property Insights of 5-甲基-4-氧代己酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲基-4-氧代己酸. With a topological polar surface area (TPSA) of 54.4 Ų, 5-甲基-4-氧代己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-甲基-4-氧代己酸 has 1 hydrogen bond donor(s) and 3 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 5-甲基-4-氧代己酸?
The CAS number of 5-甲基-4-氧代己酸 is 41654-04-0.
What is the molecular formula of 5-甲基-4-氧代己酸?
The molecular formula of 5-甲基-4-氧代己酸 is C7H12O3.
What is the molecular weight of 5-甲基-4-氧代己酸?
The molecular weight of 5-甲基-4-氧代己酸 is 144.08 g/mol.
Where can I buy 5-甲基-4-氧代己酸?
You can request a quote for 5-甲基-4-氧代己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲基-4-氧代己酸?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基-4-氧代己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.