![2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide structure](/static/products/4967/496774-55-1.webp)
2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide
TL;DR: 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide (CAS 496774-55-1) is a chemical compound with molecular formula C24H29N3O2S2 and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-butyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide, 2-[(2-butyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide, 2-[(2-butyl-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
| Molecular Formula | C24H29N3O2S2 |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 5.92442 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1701 |
| Heavy Atoms | 31 |
| Complexity | 1107.6426 |
Chemical Identifiers
| CAS Number | 496774-55-1 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC(=O)NC4=CC=CC(=C4)C |
Product Overview
2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide (CAS 496774-55-1), with molecular formula C24H29N3O2S2 and molecular weight 455.17 g/mol. IUPAC: 2-[(5-butyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide
Property Insights of 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide
The XLogP value of 5.92442 indicates that 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide?
The CAS number of 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide is 496774-55-1.
What is the molecular formula of 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide?
The molecular formula of 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide is C24H29N3O2S2.
What is the molecular weight of 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide?
The molecular weight of 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide is 455.17 g/mol.
Where can I buy 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide?
You can request a quote for 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)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-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(m-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.