![2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine structure](/static/products/4972/497248-10-9.webp)
2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
TL;DR: 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 497248-10-9) is a chemical compound with molecular formula C21H25N3OS3 and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Also Known As: 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, 6,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]-5,8-dihydrothiopyrano[4,5]thieno[1,2-c]pyrimidin-4-amine, 6,6-dimethyl-2-{[4-(propan-2-yloxy)benzyl]sulfanyl}-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C21H25N3OS3 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 5.9209 |
| Topological Polar Surface Area | 61.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.11597 |
| Heavy Atoms | 28 |
| Complexity | 996.2936 |
Chemical Identifiers
| CAS Number | 497248-10-9 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)CSC2=NC(=C3C4=C(CSC(C4)(C)C)SC3=N2)N |
Product Overview
2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 497248-10-9), with molecular formula C21H25N3OS3 and molecular weight 431.12 g/mol. IUPAC: 12,12-dimethyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
Chemical Property Profile of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Property Insights of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
The XLogP value of 5.9209 indicates that 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine. Following Lipinski's Rule of Five, 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine has 1 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-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The CAS number of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 497248-10-9.
What is the molecular formula of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular formula of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is C21H25N3OS3.
What is the molecular weight of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular weight of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 431.12 g/mol.
Where can I buy 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
You can request a quote for 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.