Dimethyl 2-acetamidobut-2-enedioate
TL;DR: Dimethyl 2-acetamidobut-2-enedioate (CAS 87358-86-9) is a chemical compound with molecular formula C8H11NO5 and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-acetamidobut-2-enedioate
Also Known As: dimethyl 2-acetamidobut-2-enedioate, 2-Butenedioic acid, 2-(acetylamino)-, dimethyl ester, (E)-, 2-Butenedioic acid, 2-(acetylamino)-, dimethyl ester, (Z)-
| Molecular Formula | C8H11NO5 |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | -0.6476 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.06372 |
| Heavy Atoms | 14 |
| Complexity | 281.45624 |
Chemical Identifiers
| CAS Number | 87358-86-9 |
|---|---|
| SMILES | CC(=O)NC(=CC(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-acetamidobut-2-enedioate (CAS 87358-86-9), with molecular formula C8H11NO5 and molecular weight 201.06 g/mol. IUPAC: dimethyl 2-acetamidobut-2-enedioate.
Chemical Property Profile of Dimethyl 2-acetamidobut-2-enedioate
Property Insights of Dimethyl 2-acetamidobut-2-enedioate
The XLogP value of -0.6476 indicates that Dimethyl 2-acetamidobut-2-enedioate 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-acetamidobut-2-enedioate. Following Lipinski's Rule of Five, Dimethyl 2-acetamidobut-2-enedioate 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-acetamidobut-2-enedioate?
The CAS number of Dimethyl 2-acetamidobut-2-enedioate is 87358-86-9.
What is the molecular formula of Dimethyl 2-acetamidobut-2-enedioate?
The molecular formula of Dimethyl 2-acetamidobut-2-enedioate is C8H11NO5.
What is the molecular weight of Dimethyl 2-acetamidobut-2-enedioate?
The molecular weight of Dimethyl 2-acetamidobut-2-enedioate is 201.06 g/mol.
Where can I buy Dimethyl 2-acetamidobut-2-enedioate?
You can request a quote for Dimethyl 2-acetamidobut-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-acetamidobut-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-acetamidobut-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.