![2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/101/1010871-10-9.png)
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 1010871-10-9) is a chemical compound with molecular formula C26H30N4O2S2 and molecular weight 494.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-4-{[4-(propan-2-yloxy)benzyl]sulfanyl}-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C26H30N4O2S2 |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | 6.42464 |
| Topological Polar Surface Area | 62.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.18103 |
| Heavy Atoms | 34 |
| Complexity | 1339.3417 |
Chemical Identifiers
| CAS Number | 1010871-10-9 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC5=CC=C(C=C5)OC(C)C)C |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 1010871-10-9), with molecular formula C26H30N4O2S2 and molecular weight 494.18 g/mol. IUPAC: 5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 6.42464 indicates that 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 1010871-10-9.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C26H30N4O2S2.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 494.18 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.