5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
TL;DR: 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (CAS 67812-33-3) is a chemical compound with molecular formula C8H12O6 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
Also Known As: 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid, 5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid, 2,2-Dimethyl-[1,3]dioxolane-4,5-dicarboxylic acid, monomethyl ester, rac-5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid, (4r,5r)-5-(methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
| Molecular Formula | C8H12O6 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.06339 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 67812-33-3 |
|---|---|
| SMILES | CC1(OC(C(O1)C(=O)OC)C(=O)O)C |
| InChIKey | QDCLIEXYHDLWGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (CAS 67812-33-3), with molecular formula C8H12O6 and molecular weight 204.06 g/mol. IUPAC: 5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.
Chemical Property Profile of 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
Property Insights of 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid. Following Lipinski's Rule of Five, 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid has 1 hydrogen bond donor(s) and 6 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 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The CAS number of 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is 67812-33-3.
What is the molecular formula of 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The molecular formula of 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is C8H12O6.
What is the molecular weight of 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The molecular weight of 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is 204.06 g/mol.
Where can I buy 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
You can request a quote for 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.