![methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/109/109577-41-5.png)
methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 109577-41-5) is a chemical compound with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(2-methoxy-2-oxoethyl)carbamoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C14H18N2O5S |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 1.708 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.09363 |
| Heavy Atoms | 22 |
| Complexity | 596.2988 |
Chemical Identifiers
| CAS Number | 109577-41-5 |
|---|---|
| SMILES | COC(=O)CNC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC |
Product Overview
methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 109577-41-5), with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol. IUPAC: methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 1.708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 109577-41-5.
What is the molecular formula of methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C14H18N2O5S.
What is the molecular weight of methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 326.09 g/mol.
Where can I buy methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(2-methoxy-2-oxoethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.