![methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/735/735320-48-6.png)
methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 735320-48-6) is a chemical compound with molecular formula C17H20N4O4S2 and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-{[2-carbamoyl-2-cyano-1-(methylamino)eth-1-en-1-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H20N4O4S2 |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 1.52508 |
| Topological Polar Surface Area | 134.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.0926 |
| Heavy Atoms | 27 |
| Complexity | 838.7218 |
Chemical Identifiers
| CAS Number | 735320-48-6 |
|---|---|
| SMILES | CNC(=C(C#N)C(=O)N)SCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC |
Product Overview
methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 735320-48-6), with molecular formula C17H20N4O4S2 and molecular weight 408.09 g/mol. IUPAC: methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 1.52508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. The TPSA of 134.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 3 hydrogen bond donor(s) and 8 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-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 735320-48-6.
What is the molecular formula of methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C17H20N4O4S2.
What is the molecular weight of methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 408.09 g/mol.
Where can I buy methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-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 methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[2-[3-amino-2-cyano-1-(methylamino)-3-oxoprop-1-enyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.