2-Formyl-4-methylpentanoic acid, ethyl ester
TL;DR: 2-Formyl-4-methylpentanoic acid, ethyl ester (CAS 607715-46-8) 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.
ethyl 2-formyl-4-methylpentanoate
Also Known As: Ethyl 2-formyl-4-methylpentanoate, Ethyl 2-formyl-4-methylpentanoate #, 2-Formyl-4-methylpentanoic acid, ethyl ester, 2-formyl-4-methylpentanoic acid ethyl ester
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 607715-46-8 |
|---|---|
| SMILES | CCOC(=O)C(CC(C)C)C=O |
| InChIKey | POONCGADRDSLFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Formyl-4-methylpentanoic acid, ethyl ester (CAS 607715-46-8), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: ethyl 2-formyl-4-methylpentanoate.
Chemical Property Profile of 2-Formyl-4-methylpentanoic acid, ethyl ester
Property Insights of 2-Formyl-4-methylpentanoic acid, ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Formyl-4-methylpentanoic acid, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Formyl-4-methylpentanoic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Formyl-4-methylpentanoic acid, ethyl 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 2-Formyl-4-methylpentanoic acid, ethyl ester?
The CAS number of 2-Formyl-4-methylpentanoic acid, ethyl ester is 607715-46-8.
What is the molecular formula of 2-Formyl-4-methylpentanoic acid, ethyl ester?
The molecular formula of 2-Formyl-4-methylpentanoic acid, ethyl ester is C9H16O3.
What is the molecular weight of 2-Formyl-4-methylpentanoic acid, ethyl ester?
The molecular weight of 2-Formyl-4-methylpentanoic acid, ethyl ester is 172.11 g/mol.
Where can I buy 2-Formyl-4-methylpentanoic acid, ethyl ester?
You can request a quote for 2-Formyl-4-methylpentanoic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Formyl-4-methylpentanoic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Formyl-4-methylpentanoic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.