dimethyl (2E)-2-(acetylamino)-2-butenedioate
TL;DR: dimethyl (2E)-2-(acetylamino)-2-butenedioate (CAS 87358-85-8) 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 (E)-2-acetamidobut-2-enedioate
Also Known As: dimethyl 2-acetamidobut-2-enedioate, dimethyl (E)-2-acetamidobut-2-enedioate, J1.279.651J, dimethyl (2E)-2-(acetylamino)-2-butenedioate, (E)-2-acetamido-but-2-enedioic acid dimethyl ester
| 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 | 87358-85-8 |
|---|---|
| SMILES | CC(=O)N/C(=C/C(=O)OC)/C(=O)OC |
Product Overview
dimethyl (2E)-2-(acetylamino)-2-butenedioate (CAS 87358-85-8), with molecular formula C8H11NO5 and molecular weight 201.06 g/mol. IUPAC: dimethyl (E)-2-acetamidobut-2-enedioate.
Chemical Property Profile of dimethyl (2E)-2-(acetylamino)-2-butenedioate
Property Insights of dimethyl (2E)-2-(acetylamino)-2-butenedioate
The XLogP value of -0.6476 indicates that dimethyl (2E)-2-(acetylamino)-2-butenedioate 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 (2E)-2-(acetylamino)-2-butenedioate. Following Lipinski's Rule of Five, dimethyl (2E)-2-(acetylamino)-2-butenedioate 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 (2E)-2-(acetylamino)-2-butenedioate?
The CAS number of dimethyl (2E)-2-(acetylamino)-2-butenedioate is 87358-85-8.
What is the molecular formula of dimethyl (2E)-2-(acetylamino)-2-butenedioate?
The molecular formula of dimethyl (2E)-2-(acetylamino)-2-butenedioate is C8H11NO5.
What is the molecular weight of dimethyl (2E)-2-(acetylamino)-2-butenedioate?
The molecular weight of dimethyl (2E)-2-(acetylamino)-2-butenedioate is 201.06 g/mol.
Where can I buy dimethyl (2E)-2-(acetylamino)-2-butenedioate?
You can request a quote for dimethyl (2E)-2-(acetylamino)-2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (2E)-2-(acetylamino)-2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (2E)-2-(acetylamino)-2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.