Dimethyl 2-acetamidobutanedioate
TL;DR: Dimethyl 2-acetamidobutanedioate (CAS 57289-64-2) is a chemical compound with molecular formula C8H13NO5 and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-acetamidobutanedioate
Also Known As: dimethyl 2-acetamidobutanedioate, (S)-Dimethyl 2-acetamidosuccinate, Dimethyl 2-(acetylamino)succinate, Dimethyl 2-(acetylamino)succinate #, 1,4-dimethyl 2-acetamidobutanedioate
| Molecular Formula | C8H13NO5 |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.07938 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 57289-64-2 |
|---|---|
| SMILES | CC(=O)NC(CC(=O)OC)C(=O)OC |
| InChIKey | VRPXVQSXUIFMKQ-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-acetamidobutanedioate (CAS 57289-64-2), with molecular formula C8H13NO5 and molecular weight 203.08 g/mol. IUPAC: dimethyl 2-acetamidobutanedioate.
Chemical Property Profile of Dimethyl 2-acetamidobutanedioate
Property Insights of Dimethyl 2-acetamidobutanedioate
The XLogP value of -0.7 indicates that Dimethyl 2-acetamidobutanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-acetamidobutanedioate. Following Lipinski's Rule of Five, Dimethyl 2-acetamidobutanedioate has 1 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 2-acetamidobutanedioate?
The CAS number of Dimethyl 2-acetamidobutanedioate is 57289-64-2.
What is the molecular formula of Dimethyl 2-acetamidobutanedioate?
The molecular formula of Dimethyl 2-acetamidobutanedioate is C8H13NO5.
What is the molecular weight of Dimethyl 2-acetamidobutanedioate?
The molecular weight of Dimethyl 2-acetamidobutanedioate is 203.08 g/mol.
Where can I buy Dimethyl 2-acetamidobutanedioate?
You can request a quote for Dimethyl 2-acetamidobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-acetamidobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-acetamidobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.