![methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/4436/443659-11-8.webp)
methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 443659-11-8) is a chemical compound with molecular formula C17H19N3O3S2 and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-(2-pyrimidin-2-ylthioacetylamino)-4,5,6,7,8-pentahydrocyclohepta[2,1- b]thiophene-3-carboxylate, methyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-{[(pyrimidin-2-ylsulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C17H19N3O3S2 |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 3.3244 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.0868 |
| Heavy Atoms | 25 |
| Complexity | 761.9986 |
Chemical Identifiers
| CAS Number | 443659-11-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC=CC=N3 |
Product Overview
methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 443659-11-8), with molecular formula C17H19N3O3S2 and molecular weight 377.09 g/mol. IUPAC: methyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 3.3244 indicates that methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 443659-11-8.
What is the molecular formula of methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C17H19N3O3S2.
What is the molecular weight of methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 377.09 g/mol.
Where can I buy methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[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-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(pyrimidin-2-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.