![{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid structure](/static/products/4360/436089-99-5.webp)
{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid
TL;DR: {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid (CAS 436089-99-5) is a chemical compound with molecular formula C13H15NO5S and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetic acid
Also Known As: {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid, {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}(oxo)acetic acid, 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetic acid, (3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoylformic Acid, ((3-(Ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl)formic acid
| Molecular Formula | C13H15NO5S |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.8267 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0671 |
| Heavy Atoms | 20 |
| Complexity | 563.3529 |
Chemical Identifiers
| CAS Number | 436089-99-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)O |
Product Overview
{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid (CAS 436089-99-5), with molecular formula C13H15NO5S and molecular weight 297.07 g/mol. IUPAC: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetic acid.
Chemical Property Profile of {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid
Property Insights of {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid
The XLogP value of 1.8267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid. Following Lipinski's Rule of Five, {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic 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-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid?
The CAS number of {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid is 436089-99-5.
What is the molecular formula of {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid?
The molecular formula of {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid is C13H15NO5S.
What is the molecular weight of {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid?
The molecular weight of {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid is 297.07 g/mol.
Where can I buy {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid?
You can request a quote for {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid?
Yes, KEHONG BIO provides custom synthesis services for {[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}formic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.