![2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine structure](/static/products/799/799799-90-9.png)
2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
TL;DR: 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 799799-90-9) is a chemical compound with molecular formula C19H20BrN3OS2 and molecular weight 449.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromophenyl)methylsulfanyl]-12-ethyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Also Known As: 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, 2-((4-bromobenzyl)thio)-6-ethyl-6-methyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C19H20BrN3OS2 |
|---|---|
| Molecular Weight | 449.02 g/mol |
| LogP | 5.5697 |
| Topological Polar Surface Area | 61.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.02313 |
| Heavy Atoms | 26 |
| Complexity | 957.5678 |
Chemical Identifiers
| CAS Number | 799799-90-9 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=NC(=NC(=C23)N)SCC4=CC=C(C=C4)Br)C |
Product Overview
2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 799799-90-9), with molecular formula C19H20BrN3OS2 and molecular weight 449.02 g/mol. IUPAC: 5-[(4-bromophenyl)methylsulfanyl]-12-ethyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
Chemical Property Profile of 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Property Insights of 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
The XLogP value of 5.5697 indicates that 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[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-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine. Following Lipinski's Rule of Five, 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':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-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The CAS number of 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 799799-90-9.
What is the molecular formula of 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular formula of 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is C19H20BrN3OS2.
What is the molecular weight of 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular weight of 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 449.02 g/mol.
Where can I buy 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
You can request a quote for 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[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-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-bromobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[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.