Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester
TL;DR: Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester (CAS 138883-97-3) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2-methyl-3-oxobutan-2-yl) carbonate
Also Known As: methyl (2-methyl-3-oxobutan-2-yl) carbonate, 3-[(methoxycarbonyl)oxy]-3-methylbutan-2-one, Methyl (2-methyl-3-oxo-butan-2-yl) Carbonate, CARBONIC ACID 1,1-DIMETHYL-2-OXO-PROPYL ESTER METHYL ESTER, 683-499-3
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.137 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 171.27939 |
Chemical Identifiers
| CAS Number | 138883-97-3 |
|---|---|
| SMILES | CC(=O)C(C)(C)OC(=O)OC |
Product Overview
Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester (CAS 138883-97-3), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: methyl (2-methyl-3-oxobutan-2-yl) carbonate.
Chemical Property Profile of Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester
Property Insights of Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester
The XLogP value of 1.137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester has 0 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 Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester?
The CAS number of Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester is 138883-97-3.
What is the molecular formula of Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester?
The molecular formula of Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester is C7H12O4.
What is the molecular weight of Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester?
The molecular weight of Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester is 160.07 g/mol.
Where can I buy Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester?
You can request a quote for Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.