Dimethyl acetylsuccinate
TL;DR: Dimethyl acetylsuccinate (CAS 10420-33-4) is a chemical compound with molecular formula C8H12O5 and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-acetylbutanedioate
Also Known As: Dimethyl acetylsuccinate, Dimethyl 2-acetylsuccinate, dimethyl 2-acetylbutanedioate, 1,4-dimethyl 2-acetylbutanedioate, DMAS
| Molecular Formula | C8H12O5 |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.06847 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 10420-33-4 |
|---|---|
| SMILES | CC(=O)C(CC(=O)OC)C(=O)OC |
| InChIKey | XREKLQOUFWBSFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl acetylsuccinate (CAS 10420-33-4), with molecular formula C8H12O5 and molecular weight 188.07 g/mol. IUPAC: dimethyl 2-acetylbutanedioate.
Chemical Property Profile of Dimethyl acetylsuccinate
Property Insights of Dimethyl acetylsuccinate
The XLogP value of -0.2 indicates that Dimethyl acetylsuccinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl acetylsuccinate. Following Lipinski's Rule of Five, Dimethyl acetylsuccinate 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 Dimethyl acetylsuccinate?
The CAS number of Dimethyl acetylsuccinate is 10420-33-4.
What is the molecular formula of Dimethyl acetylsuccinate?
The molecular formula of Dimethyl acetylsuccinate is C8H12O5.
What is the molecular weight of Dimethyl acetylsuccinate?
The molecular weight of Dimethyl acetylsuccinate is 188.07 g/mol.
Where can I buy Dimethyl acetylsuccinate?
You can request a quote for Dimethyl acetylsuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl acetylsuccinate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl acetylsuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.