![2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide structure](/static/products/5903/590359-62-9.webp)
2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide
TL;DR: 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide (CAS 590359-62-9) is a chemical compound with molecular formula C20H20N4O3S3 and molecular weight 460.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[11-[(2-benzylsulfanylacetyl)amino]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetamide
Also Known As: 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide, N-[2-(carbamoylmethylthio)-4-oxo(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino [4,5-b]thiophen-3-yl)]-2-(phenylmethylthio)acetamide, N-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl}-2-(benzylsulfanyl)acetamide
| Molecular Formula | C20H20N4O3S3 |
|---|---|
| Molecular Weight | 460.07 g/mol |
| LogP | 2.5276 |
| Topological Polar Surface Area | 107.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.06976 |
| Heavy Atoms | 30 |
| Complexity | 1157.5533 |
Chemical Identifiers
| CAS Number | 590359-62-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N)NC(=O)CSCC4=CC=CC=C4 |
Product Overview
2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide (CAS 590359-62-9), with molecular formula C20H20N4O3S3 and molecular weight 460.07 g/mol. IUPAC: 2-[[11-[(2-benzylsulfanylacetyl)amino]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide
Property Insights of 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide
The XLogP value of 2.5276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide. The TPSA of 107.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide has 2 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 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide?
The CAS number of 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide is 590359-62-9.
What is the molecular formula of 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide?
The molecular formula of 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide is C20H20N4O3S3.
What is the molecular weight of 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide?
The molecular weight of 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide is 460.07 g/mol.
Where can I buy 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide?
You can request a quote for 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-[(2-benzylsulfanylacetyl)amino]-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.