1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate
TL;DR: 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate (CAS 314284-47-4) is a chemical compound with molecular formula C15H13NO5S and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(thiophene-2-carbonylamino)benzene-1,3-dicarboxylate
Also Known As: UPCMLD0ENAT5693358:001, BAS 00624698, 1,3-dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate, dimethyl 5-[(2-thienylcarbonyl)amino]isophthalate, DIMETHYL 5-((2-THIENYLCARBONYL)AMINO)ISOPHTHALATE
| Molecular Formula | C15H13NO5S |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.05145 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 314284-47-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)OC |
| InChIKey | COUZTRXDRQUMQY-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate (CAS 314284-47-4), with molecular formula C15H13NO5S and molecular weight 319.05 g/mol. IUPAC: dimethyl 5-(thiophene-2-carbonylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate
Property Insights of 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, 1,3-Dimethyl 5-(thiophene-2-amido)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 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate?
The CAS number of 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate is 314284-47-4.
What is the molecular formula of 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate?
The molecular formula of 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate is C15H13NO5S.
What is the molecular weight of 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate?
The molecular weight of 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate is 319.05 g/mol.
Where can I buy 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate?
You can request a quote for 1,3-Dimethyl 5-(thiophene-2-amido)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 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 5-(thiophene-2-amido)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.