![[2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate structure](/static/products/7506/750641-13-5.webp)
[2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
TL;DR: [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate (CAS 750641-13-5) is a chemical compound with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Also Known As: [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate|2-(carbamoylamino)-2-oxoethyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate|MLS001011088|SMR000353073
| Molecular Formula | C13H16N2O4S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 1.2246 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.08307 |
| Heavy Atoms | 20 |
| Complexity | 552.5661 |
Chemical Identifiers
| CAS Number | 750641-13-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(=O)N |
Product Overview
[2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate (CAS 750641-13-5), with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol. IUPAC: [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Property Insights of [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
The XLogP value of 1.2246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate 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 [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The CAS number of [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is 750641-13-5.
What is the molecular formula of [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The molecular formula of [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is C13H16N2O4S.
What is the molecular weight of [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The molecular weight of [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is 296.08 g/mol.
Where can I buy [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
You can request a quote for [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.