![Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate structure](/static/products/5700/5700-70-9.webp)
Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate
TL;DR: Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate (CAS 5700-70-9) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate, methyl 2-[(2E)-3-(4-nitrophenyl)prop-2-enoylamino]-4,5-dimethylthiophene-3-car boxylate, methyl 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate, METHYL 4,5-DIMETHYL-2-[(2E)-3-(4-NITROPHENYL)PROP-2-ENAMIDO]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 3.71164 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 852.66833 |
Chemical Identifiers
| CAS Number | 5700-70-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate (CAS 5700-70-9), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate
Property Insights of Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate
The XLogP value of 3.71164 indicates that Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 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 Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate?
The CAS number of Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate is 5700-70-9.
What is the molecular formula of Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate?
The molecular formula of Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate is C17H16N2O5S.
What is the molecular weight of Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate?
The molecular weight of Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate is 360.08 g/mol.
Where can I buy Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate?
You can request a quote for Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethyl-2-{[3-(4-nitrophenyl)acryloyl]amino}-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.