![2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide structure](/static/products/844/844653-16-3.png)
2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
TL;DR: 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide (CAS 844653-16-3) is a chemical compound with molecular formula C23H28N4O2S3 and molecular weight 488.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(14-methylsulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-{[9-(methylsulfanyl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}-N-(tetrahydrofuran-2-ylmethyl)acetamide
| Molecular Formula | C23H28N4O2S3 |
|---|---|
| Molecular Weight | 488.14 g/mol |
| LogP | 4.9608 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.13745 |
| Heavy Atoms | 32 |
| Complexity | 1171.4535 |
Chemical Identifiers
| CAS Number | 844653-16-3 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC(=N4)SC)SCC(=O)NCC5CCCO5 |
Product Overview
2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide (CAS 844653-16-3), with molecular formula C23H28N4O2S3 and molecular weight 488.14 g/mol. IUPAC: 2-[(14-methylsulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
Property Insights of 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
The XLogP value of 4.9608 indicates that 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide. Following Lipinski's Rule of Five, 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide has 1 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 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
The CAS number of 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide is 844653-16-3.
What is the molecular formula of 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
The molecular formula of 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide is C23H28N4O2S3.
What is the molecular weight of 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
The molecular weight of 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide is 488.14 g/mol.
Where can I buy 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
You can request a quote for 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.