Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 100068-52-8) is a chemical compound with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, BAS 01023399, Ethyl 2-ureido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-ureido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, 2-Ureido-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 2.2942 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 481.91223 |
Chemical Identifiers
| CAS Number | 100068-52-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)N |
Product Overview
Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 100068-52-8), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 2.2942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 4 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 Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 100068-52-8.
What is the molecular formula of Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C12H16N2O3S.
What is the molecular weight of Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 268.09 g/mol.
Where can I buy Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.