![2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone structure](/static/products/847/847181-90-2.png)
2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone
TL;DR: 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone (CAS 847181-90-2) is a chemical compound with molecular formula C18H25N5OS2 and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-amino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
Also Known As: 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone, 2-[(4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone, 2-[(4-amino-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone, 2-[(4-amino-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl)thio]-1-(4-methyl-1-piperidinyl)ethanone, 2-[(4-amino-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl)thio]-1-(4-methylpiperidino)ethanone
| Molecular Formula | C18H25N5OS2 |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.15005 |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 847181-90-2 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC(=C3C4=C(CN(CC4)C)SC3=N2)N |
| InChIKey | NNIQTMXXUDKITB-UHFFFAOYSA-N |
Product Overview
2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone (CAS 847181-90-2), with molecular formula C18H25N5OS2 and molecular weight 391.15 g/mol. IUPAC: 2-[(3-amino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone
Property Insights of 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone 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 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone?
The CAS number of 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone is 847181-90-2.
What is the molecular formula of 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone?
The molecular formula of 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone is C18H25N5OS2.
What is the molecular weight of 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone?
The molecular weight of 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone is 391.15 g/mol.
Where can I buy 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone?
You can request a quote for 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.