Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate
TL;DR: Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate (CAS 327087-98-9) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate
Also Known As: starbld0008445, Dimethyl 2-acrylamidoterephthalate, dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate, 1,4-dimethyl 2-(prop-2-enamido)benzene-1,4-dicarboxylate
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.3843 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 535.83514 |
Chemical Identifiers
| CAS Number | 327087-98-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C=C |
Product Overview
Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate (CAS 327087-98-9), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate
Property Insights of Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate
The XLogP value of 1.3843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate 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-(prop-2-enoylamino)benzene-1,4-dicarboxylate?
The CAS number of Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate is 327087-98-9.
What is the molecular formula of Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate?
The molecular formula of Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate is C13H13NO5.
What is the molecular weight of Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate?
The molecular weight of Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate is 263.08 g/mol.
Where can I buy Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate?
You can request a quote for Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(prop-2-enoylamino)benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.