![2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-((1-phenylcyclopentyl)methyl)acetamide structure](/static/products/497/497231-40-0.png)
2-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-((1-phenylcyclopentyl)methyl)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-((1-phenylcyclopentyl)methyl)acetamide (CAS 497231-40-0) is a chemical compound with molecular formula C29H37N3O2S2 and molecular weight 523.23 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-[(1-phenylcyclopentyl)methyl]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-((1-phenylcyclopentyl)methyl)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-[(1-phenylcyclopentyl)methyl]acetamide
| Molecular Formula | C29H37N3O2S2 |
|---|---|
| Molecular Weight | 523.23 g/mol |
| LogP | 6.6055 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.2327 |
| Heavy Atoms | 36 |
| Complexity | 1216.2324 |
Chemical Identifiers
| CAS Number | 497231-40-0 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC(=O)NCC4(CCCC4)C5=CC=CC=C5 |
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-((1-phenylcyclopentyl)methyl)acetamide (CAS 497231-40-0), with molecular formula C29H37N3O2S2 and molecular weight 523.23 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-[(1-phenylcyclopentyl)methyl]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-((1-phenylcyclopentyl)methyl)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-((1-phenylcyclopentyl)methyl)acetamide
The XLogP value of 6.6055 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-((1-phenylcyclopentyl)methyl)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-((1-phenylcyclopentyl)methyl)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-((1-phenylcyclopentyl)methyl)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-((1-phenylcyclopentyl)methyl)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-((1-phenylcyclopentyl)methyl)acetamide is 497231-40-0.
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-((1-phenylcyclopentyl)methyl)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-((1-phenylcyclopentyl)methyl)acetamide is C29H37N3O2S2.
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-((1-phenylcyclopentyl)methyl)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-((1-phenylcyclopentyl)methyl)acetamide is 523.23 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-((1-phenylcyclopentyl)methyl)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-((1-phenylcyclopentyl)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-((2-butyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-((1-phenylcyclopentyl)methyl)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-((1-phenylcyclopentyl)methyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.