4-氧代壬酸
TL;DR: 4-氧代壬酸 (CAS 6064-52-4) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代壬酸
4-oxononanoic acid
Also Known As: 4-OXONONANOIC ACID, 4-Oxopelargonic acid, 4-oxo-nonanoic acid, 4-ketononanoic acid, Nonanoicacid, 4-oxo-
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 6064-52-4 |
|---|---|
| SMILES | CCCCCC(=O)CCC(=O)O |
| InChIKey | PRDIIROHTWNJDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氧代壬酸 (CAS 6064-52-4), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: 4-oxononanoic acid.
Chemical Property Profile of 4-氧代壬酸
Property Insights of 4-氧代壬酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧代壬酸. With a topological polar surface area (TPSA) of 54.4 Ų, 4-氧代壬酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氧代壬酸 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 4-氧代壬酸?
The CAS number of 4-氧代壬酸 is 6064-52-4.
What is the molecular formula of 4-氧代壬酸?
The molecular formula of 4-氧代壬酸 is C9H16O3.
What is the molecular weight of 4-氧代壬酸?
The molecular weight of 4-氧代壬酸 is 172.11 g/mol.
Where can I buy 4-氧代壬酸?
You can request a quote for 4-氧代壬酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代壬酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代壬酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.