![2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene structure](/static/products/109/109164-44-5.png)
2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene
TL;DR: 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene (CAS 109164-44-5) is a chemical compound with molecular formula C15H19NO7S and molecular weight 357.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-4-oxobutanoic acid
Also Known As: 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene, 4-([3,5-Bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino)-4-oxobutanoic acid, 4-((3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl)amino)-4-oxobutanoic acid, 4-([3,5-Bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino)-4-oxobutanoic acid #, 4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-4-oxobutanoic acid
| Molecular Formula | C15H19NO7S |
|---|---|
| Molecular Weight | 357.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 357.08823 |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 109164-44-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCC(=O)O |
| InChIKey | XNHIOWWGHQRXRC-UHFFFAOYSA-N |
Product Overview
2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene (CAS 109164-44-5), with molecular formula C15H19NO7S and molecular weight 357.09 g/mol. IUPAC: 4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene
Property Insights of 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene. The TPSA of 147.0 Ų indicates high polarity, suggesting 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene has 2 hydrogen bond donor(s) and 8 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 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene?
The CAS number of 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene is 109164-44-5.
What is the molecular formula of 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene?
The molecular formula of 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene is C15H19NO7S.
What is the molecular weight of 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene?
The molecular weight of 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene is 357.09 g/mol.
Where can I buy 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene?
You can request a quote for 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-Carboxypropionamido]-3,5-dicarbethoxy-4-methylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.