![3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid structure](/static/products/899/899588-34-2.png)
3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid
TL;DR: 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid (CAS 899588-34-2) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: 3-[(3-methoxycarbonyl-5-propan-2-yl-thiophen-2-yl)carbamoyl]propanoic Acid, 4-((5-isopropyl-3-(methoxycarbonyl)thiophen-2-yl)amino)-4-oxobutanoic acid, 4-[(3-methoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-4-oxobutanoic acid, 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid, 4-{[3-(methoxycarbonyl)-5-(propan-2-yl)thiophen-2-yl]amino}-4-oxobutanoic acid
| Molecular Formula | C13H17NO5S |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.4614 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.08273 |
| Heavy Atoms | 20 |
| Complexity | 520.83124 |
Chemical Identifiers
| CAS Number | 899588-34-2 |
|---|---|
| SMILES | CC(C)C1=CC(=C(S1)NC(=O)CCC(=O)O)C(=O)OC |
Product Overview
3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid (CAS 899588-34-2), with molecular formula C13H17NO5S and molecular weight 299.08 g/mol. IUPAC: 4-[(3-methoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid
Property Insights of 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid
The XLogP value of 2.4614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid. Following Lipinski's Rule of Five, 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid has 2 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 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid?
The CAS number of 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid is 899588-34-2.
What is the molecular formula of 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid?
The molecular formula of 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid is C13H17NO5S.
What is the molecular weight of 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid?
The molecular weight of 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid is 299.08 g/mol.
Where can I buy 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid?
You can request a quote for 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{N-[3-(methoxycarbonyl)-5-(methylethyl)-2-thienyl]carbamoyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.