5-氧代庚酸
TL;DR: 5-氧代庚酸 (CAS 3637-13-6) 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-氧代庚酸
5-oxoheptanoic acid
Also Known As: 5-oxo-heptanoic acid, 5-Oxoheptanoic acid, Heptanoic acid, 5-oxo-, 4-propionyl butyric acid, 5-Ketoenanthic acid
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 1.2204 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 128.81291 |
Chemical Identifiers
| CAS Number | 3637-13-6 |
|---|---|
| SMILES | CCC(=O)CCCC(=O)O |
Product Overview
5-氧代庚酸 (CAS 3637-13-6), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 5-oxoheptanoic acid.
Chemical Property Profile of 5-氧代庚酸
Property Insights of 5-氧代庚酸
The XLogP value of 1.2204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氧代庚酸. With a topological polar surface area (TPSA) of 54.37 Ų, 5-氧代庚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氧代庚酸 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 5-氧代庚酸?
The CAS number of 5-氧代庚酸 is 3637-13-6.
What is the molecular formula of 5-氧代庚酸?
The molecular formula of 5-氧代庚酸 is C7H12O3.
What is the molecular weight of 5-氧代庚酸?
The molecular weight of 5-氧代庚酸 is 144.08 g/mol.
Where can I buy 5-氧代庚酸?
You can request a quote for 5-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 5-氧代庚酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氧代庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.