![2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide structure](/static/products/496/496797-30-9.png)
2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide
TL;DR: 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide (CAS 496797-30-9) is a chemical compound with molecular formula C18H20N8O3S3 and molecular weight 492.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-(2-amino-2-oxoethyl)sulfanyl-15-ethyl-15-methyl-16-oxa-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl]sulfanyl]acetamide
Also Known As: 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide, 2,2'-[(12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl)disulfanediyl]diacetamide
| Molecular Formula | C18H20N8O3S3 |
|---|---|
| Molecular Weight | 492.08 g/mol |
| LogP | 1.3829 |
| Topological Polar Surface Area | 155.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.08206 |
| Heavy Atoms | 32 |
| Complexity | 1393.0425 |
Chemical Identifiers
| CAS Number | 496797-30-9 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC(=O)N)SCC(=O)N)C |
Product Overview
2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide (CAS 496797-30-9), with molecular formula C18H20N8O3S3 and molecular weight 492.08 g/mol. IUPAC: 2-[[8-(2-amino-2-oxoethyl)sulfanyl-15-ethyl-15-methyl-16-oxa-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide
Property Insights of 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide
The XLogP value of 1.3829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide. The TPSA of 155.79 Ų indicates high polarity, suggesting 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide has 2 hydrogen bond donor(s) and 10 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'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide?
The CAS number of 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide is 496797-30-9.
What is the molecular formula of 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide?
The molecular formula of 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide is C18H20N8O3S3.
What is the molecular weight of 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide?
The molecular weight of 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide is 492.08 g/mol.
Where can I buy 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide?
You can request a quote for 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-((12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.