Pentanoic acid, 5-oxo-, methyl ester
TL;DR: Pentanoic acid, 5-oxo-, methyl ester (CAS 6070-68-4) 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.
methyl 5-oxopentanoate
Also Known As: Methyl 5-oxopentanoate, Methyl 4-formylbutanoate, methyl 4-formylbutyrate, Methyl 5-oxovalerate, 4-Methoxycarbonylbutanal
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 6070-68-4 |
|---|---|
| SMILES | COC(=O)CCCC=O |
| InChIKey | YBTZROCKNUIONO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 5-oxo-, methyl ester (CAS 6070-68-4), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: methyl 5-oxopentanoate.
Chemical Property Profile of Pentanoic acid, 5-oxo-, methyl ester
Property Insights of Pentanoic acid, 5-oxo-, methyl ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 5-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Pentanoic acid, 5-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 5-oxo-, methyl ester has 0 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 Pentanoic acid, 5-oxo-, methyl ester?
The CAS number of Pentanoic acid, 5-oxo-, methyl ester is 6070-68-4.
What is the molecular formula of Pentanoic acid, 5-oxo-, methyl ester?
The molecular formula of Pentanoic acid, 5-oxo-, methyl ester is C6H10O3.
What is the molecular weight of Pentanoic acid, 5-oxo-, methyl ester?
The molecular weight of Pentanoic acid, 5-oxo-, methyl ester is 130.06 g/mol.
Where can I buy Pentanoic acid, 5-oxo-, methyl ester?
You can request a quote for Pentanoic acid, 5-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 5-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 5-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.