4-氧代己酸
TL;DR: 4-氧代己酸 (CAS 1117-74-4) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代己酸
4-oxohexanoic acid
Also Known As: 4-oxohexanoic acid, 4-oxo-hexanoic acid, Hexanoic acid, 4-oxo-, 4-oxohexanoate, 4-keto-n-caproic acid
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.8303 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 117.47138 |
Chemical Identifiers
| CAS Number | 1117-74-4 |
|---|---|
| SMILES | CCC(=O)CCC(=O)O |
Product Overview
4-氧代己酸 (CAS 1117-74-4), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 4-oxohexanoic acid.
Chemical Property Profile of 4-氧代己酸
Property Insights of 4-氧代己酸
The XLogP value of 0.8303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧代己酸. With a topological polar surface area (TPSA) of 54.37 Ų, 4-氧代己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氧代己酸 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-氧代己酸?
The CAS number of 4-氧代己酸 is 1117-74-4.
What is the molecular formula of 4-氧代己酸?
The molecular formula of 4-氧代己酸 is C6H10O3.
What is the molecular weight of 4-氧代己酸?
The molecular weight of 4-氧代己酸 is 130.06 g/mol.
Where can I buy 4-氧代己酸?
You can request a quote for 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 4-氧代己酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.