7-氧代庚酸
TL;DR: 7-氧代庚酸 (CAS 4068-72-8) 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.
7-氧代庚酸
7-oxoheptanoic acid
Also Known As: 7-Oxoheptanoic acid, 7-Ketoheptanoic acid, Heptanoic acid, 7-oxo-, 7-Oxoheptanoicacid, 6-formyl hexanoic acid
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 4068-72-8 |
|---|---|
| SMILES | C(CCC=O)CCC(=O)O |
| InChIKey | OOFMTFUTWFAVGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-氧代庚酸 (CAS 4068-72-8), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 7-oxoheptanoic acid.
Chemical Property Profile of 7-氧代庚酸
Property Insights of 7-氧代庚酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-氧代庚酸. With a topological polar surface area (TPSA) of 54.4 Ų, 7-氧代庚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-氧代庚酸 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 7-氧代庚酸?
The CAS number of 7-氧代庚酸 is 4068-72-8.
What is the molecular formula of 7-氧代庚酸?
The molecular formula of 7-氧代庚酸 is C7H12O3.
What is the molecular weight of 7-氧代庚酸?
The molecular weight of 7-氧代庚酸 is 144.08 g/mol.
Where can I buy 7-氧代庚酸?
You can request a quote for 7-氧代庚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-氧代庚酸?
Yes, KEHONG BIO provides custom synthesis services for 7-氧代庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.