3-氧代己酸
TL;DR: 3-氧代己酸 (CAS 4380-91-0) 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.
3-氧代己酸
3-oxohexanoic acid
Also Known As: 3-Oxohexanoic acid, 3-oxo-hexanoic acid, 3-ketohexanoic acid, 3-Oxohexanoate, Hexanoic acid, 3-oxo-
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 4380-91-0 |
|---|---|
| SMILES | CCCC(=O)CC(=O)O |
| InChIKey | BDCLDNALSPBWPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氧代己酸 (CAS 4380-91-0), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 3-oxohexanoic acid.
Chemical Property Profile of 3-氧代己酸
Property Insights of 3-氧代己酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氧代己酸. With a topological polar surface area (TPSA) of 54.4 Ų, 3-氧代己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-氧代己酸?
The CAS number of 3-氧代己酸 is 4380-91-0.
What is the molecular formula of 3-氧代己酸?
The molecular formula of 3-氧代己酸 is C6H10O3.
What is the molecular weight of 3-氧代己酸?
The molecular weight of 3-氧代己酸 is 130.06 g/mol.
Where can I buy 3-氧代己酸?
You can request a quote for 3-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 3-氧代己酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.