3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid
TL;DR: 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid (CAS 58875-33-5) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-methoxy-3-methyl-5-oxopentanoic acid
Also Known As: 3-ethyl-5-methoxy-3-methyl-5-oxopentanoic acid, Pentanedioic acid,3-ethyl-3-methyl-, 1-methyl ester, 3-ethyl-5-methoxy-3-methyl-5-oxo-pentanoicacid, Pentanedioic acid,3-ethyl-3-methyl-,1-methyl ester, 3-ETHYL-5-METHOXY-3-METHYL-5-OXO-PENTANOIC ACID
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 58875-33-5 |
|---|---|
| SMILES | CCC(C)(CC(=O)O)CC(=O)OC |
| InChIKey | MPZVITRUKTWADX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid (CAS 58875-33-5), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 3-ethyl-5-methoxy-3-methyl-5-oxopentanoic acid.
Chemical Property Profile of 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid
Property Insights of 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid. Following Lipinski's Rule of Five, 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid has 1 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 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid?
The CAS number of 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid is 58875-33-5.
What is the molecular formula of 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid?
The molecular formula of 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid is C9H16O4.
What is the molecular weight of 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid?
The molecular weight of 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid is 188.10 g/mol.
Where can I buy 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid?
You can request a quote for 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.