![Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate structure](/static/products/3490/349087-50-9.webp)
Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate (CAS 349087-50-9) is a chemical compound with molecular formula C16H15NO5S and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate
Also Known As: UPCMLD0ENAT5744737:001, dimethyl 5-[(thien-2-ylacetyl)amino]isophthalate, BAS 02256590, 5-(2-Thiophen-2-yl-acetylamino)-isophthalic acid dimethyl ester, AJ-292/14129177
| Molecular Formula | C16H15NO5S |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.0671 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 349087-50-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CS2)C(=O)OC |
| InChIKey | LLFKSRAHIRSPNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate (CAS 349087-50-9), with molecular formula C16H15NO5S and molecular weight 333.07 g/mol. IUPAC: dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate 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 Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate is 349087-50-9.
What is the molecular formula of Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate is C16H15NO5S.
What is the molecular weight of Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate is 333.07 g/mol.
Where can I buy Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[(2-thiophen-2-ylacetyl)amino]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.