Heptanoic acid, 2-methyl-6-oxo-, methyl ester
TL;DR: Heptanoic acid, 2-methyl-6-oxo-, methyl ester (CAS 2570-90-3) 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.
methyl 2-methyl-6-oxoheptanoate
Also Known As: Methyl 2-methyl-6-oxoheptanoate, Heptanoic acid, 2-methyl-6-oxo-, methyl ester, Methyl 2-methyl-6-oxoheptanoate #, 2-methyl-6-oxoheptanoic acid methyl ester, 2-METHYL-6-OXO-HEPTANOIC ACID METHYL ESTER
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.0 |
| 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 | 163.0 |
Chemical Identifiers
| CAS Number | 2570-90-3 |
|---|---|
| SMILES | CC(CCCC(=O)C)C(=O)OC |
| InChIKey | HFLTZADIZWIVCK-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, 2-methyl-6-oxo-, methyl ester (CAS 2570-90-3), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: methyl 2-methyl-6-oxoheptanoate.
Chemical Property Profile of Heptanoic acid, 2-methyl-6-oxo-, methyl ester
Property Insights of Heptanoic acid, 2-methyl-6-oxo-, methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanoic acid, 2-methyl-6-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Heptanoic acid, 2-methyl-6-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 2-methyl-6-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 Heptanoic acid, 2-methyl-6-oxo-, methyl ester?
The CAS number of Heptanoic acid, 2-methyl-6-oxo-, methyl ester is 2570-90-3.
What is the molecular formula of Heptanoic acid, 2-methyl-6-oxo-, methyl ester?
The molecular formula of Heptanoic acid, 2-methyl-6-oxo-, methyl ester is C9H16O3.
What is the molecular weight of Heptanoic acid, 2-methyl-6-oxo-, methyl ester?
The molecular weight of Heptanoic acid, 2-methyl-6-oxo-, methyl ester is 172.11 g/mol.
Where can I buy Heptanoic acid, 2-methyl-6-oxo-, methyl ester?
You can request a quote for Heptanoic acid, 2-methyl-6-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 Heptanoic acid, 2-methyl-6-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 2-methyl-6-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.