![2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine structure](/static/products/489/489442-54-8.png)
2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine
TL;DR: 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 489442-54-8) is a chemical compound with molecular formula C21H25N3OS2 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine, 7-methyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine, 7-methyl-2-{[4-(propan-2-yloxy)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C21H25N3OS2 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 5.4778 |
| Topological Polar Surface Area | 61.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1439 |
| Heavy Atoms | 27 |
| Complexity | 950.21027 |
Chemical Identifiers
| CAS Number | 489442-54-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCC4=CC=C(C=C4)OC(C)C |
Product Overview
2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 489442-54-8), with molecular formula C21H25N3OS2 and molecular weight 399.14 g/mol. IUPAC: 7-methyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine
Property Insights of 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine
The XLogP value of 5.4778 indicates that 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[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)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine. Following Lipinski's Rule of Five, 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine 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-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine?
The CAS number of 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine is 489442-54-8.
What is the molecular formula of 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular formula of 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine is C21H25N3OS2.
What is the molecular weight of 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular weight of 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine is 399.14 g/mol.
Where can I buy 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine?
You can request a quote for 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[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)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-isopropoxybenzyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.