4-氧代-6-羟基庚酸
TL;DR: 4-氧代-6-羟基庚酸 (CAS 91168-70-6) is a chemical compound with molecular formula CC(CC(=O)CCC(=O)O)O and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代-6-羟基庚酸
6-hydroxy-4-oxoheptanoic acid
Also Known As: 4-Oxo-6-hydroxyheptanoic acid, 4-Keto-6-hydroxyheptanoic acid, 4-Oxo-6-hydroxyheptanoicacid, Heptanoic acid, 6-hydroxy-4-oxo-, 6-hydroxy-4-oxoheptanoic acid
| Molecular Formula | CC(CC(=O)CCC(=O)O)O |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 91168-70-6 |
|---|---|
| SMILES | CC(CC(=O)CCC(=O)O)O |
| InChIKey | RSASLBOFXLIQJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氧代-6-羟基庚酸 (CAS 91168-70-6), with molecular formula CC(CC(=O)CCC(=O)O)O and molecular weight 160.07 g/mol. IUPAC: 6-hydroxy-4-oxoheptanoic acid.
Chemical Property Profile of 4-氧代-6-羟基庚酸
Property Insights of 4-氧代-6-羟基庚酸
The XLogP value of -0.9 indicates that 4-氧代-6-羟基庚酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氧代-6-羟基庚酸. Following Lipinski's Rule of Five, 4-氧代-6-羟基庚酸 has 2 hydrogen bond donor(s) and 4 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-6-羟基庚酸?
The CAS number of 4-氧代-6-羟基庚酸 is 91168-70-6.
What is the molecular formula of 4-氧代-6-羟基庚酸?
The molecular formula of 4-氧代-6-羟基庚酸 is CC(CC(=O)CCC(=O)O)O.
What is the molecular weight of 4-氧代-6-羟基庚酸?
The molecular weight of 4-氧代-6-羟基庚酸 is 160.07 g/mol.
Where can I buy 4-氧代-6-羟基庚酸?
You can request a quote for 4-氧代-6-羟基庚酸 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-6-羟基庚酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代-6-羟基庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.