Acetic acid, 2,2-dimethoxy-, methyl ester
TL;DR: Acetic acid, 2,2-dimethoxy-, methyl ester (CAS 89-91-8) is a chemical compound with molecular formula C5H10O4 and molecular weight 134.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dimethoxyacetate
Also Known As: Methyl dimethoxyacetate, Methyl 2,2-dimethoxyacetate, Acetic acid, dimethoxy-, methyl ester, Methyldimethoxyacetate, Dimethoxyacetic acid methyl ester
| Molecular Formula | C5H10O4 |
|---|---|
| Molecular Weight | 134.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.0579 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 89-91-8 |
|---|---|
| SMILES | COC(C(=O)OC)OC |
| InChIKey | NZTCVGHPDWAALP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2,2-dimethoxy-, methyl ester (CAS 89-91-8), with molecular formula C5H10O4 and molecular weight 134.06 g/mol. IUPAC: methyl 2,2-dimethoxyacetate.
Chemical Property Profile of Acetic acid, 2,2-dimethoxy-, methyl ester
Property Insights of Acetic acid, 2,2-dimethoxy-, methyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2,2-dimethoxy-, methyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Acetic acid, 2,2-dimethoxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2,2-dimethoxy-, 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 Acetic acid, 2,2-dimethoxy-, methyl ester?
The CAS number of Acetic acid, 2,2-dimethoxy-, methyl ester is 89-91-8.
What is the molecular formula of Acetic acid, 2,2-dimethoxy-, methyl ester?
The molecular formula of Acetic acid, 2,2-dimethoxy-, methyl ester is C5H10O4.
What is the molecular weight of Acetic acid, 2,2-dimethoxy-, methyl ester?
The molecular weight of Acetic acid, 2,2-dimethoxy-, methyl ester is 134.06 g/mol.
Where can I buy Acetic acid, 2,2-dimethoxy-, methyl ester?
You can request a quote for Acetic acid, 2,2-dimethoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2,2-dimethoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2,2-dimethoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.