Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester
TL;DR: Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester (CAS 54966-46-0) is a chemical compound with molecular formula C9H16O5 and molecular weight 204.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1-methoxy-1-oxopropan-2-yl)oxybutanoate
Also Known As: 4-[1- ethyloxy]butyricacidmethylester, Methyl 4-(2-methoxy-1-methyl-2-oxoethoxy)butanoate, 4-[1-(Methoxycarbonyl)ethyloxy]butyric acid methyl ester, methyl 4-(1-methoxy-1-oxopropan-2-yl)oxybutanoate, methyl 4-[(1-methoxy-1-oxopropan-2-yl)oxy]butanoate
| Molecular Formula | C9H16O5 |
|---|---|
| Molecular Weight | 204.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 204.09978 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 54966-46-0 |
|---|---|
| SMILES | CC(C(=O)OC)OCCCC(=O)OC |
| InChIKey | ZOTWXMVYFVROME-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester (CAS 54966-46-0), with molecular formula C9H16O5 and molecular weight 204.10 g/mol. IUPAC: methyl 4-(1-methoxy-1-oxopropan-2-yl)oxybutanoate.
Chemical Property Profile of Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester
Property Insights of Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester. Following Lipinski's Rule of Five, Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester has 0 hydrogen bond donor(s) and 5 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 Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester?
The CAS number of Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester is 54966-46-0.
What is the molecular formula of Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester?
The molecular formula of Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester is C9H16O5.
What is the molecular weight of Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester?
The molecular weight of Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester is 204.10 g/mol.
Where can I buy Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester?
You can request a quote for Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-(2-methoxy-1-methyl-2-oxoethoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.