![2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine structure](/static/products/488/488122-46-9.png)
2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
TL;DR: 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 488122-46-9) is a chemical compound with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-12-propan-2-yl-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-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C20H21N3O3S2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 4.3918 |
| Topological Polar Surface Area | 79.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.10245 |
| Heavy Atoms | 28 |
| Complexity | 1050.8422 |
Chemical Identifiers
| CAS Number | 488122-46-9 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=NC(=NC(=C23)N)SCC4=CC5=C(C=C4)OCO5 |
Product Overview
2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 488122-46-9), with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-12-propan-2-yl-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-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Property Insights of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
The XLogP value of 4.3918 indicates that 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-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 79.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine. Following Lipinski's Rule of Five, 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The CAS number of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 488122-46-9.
What is the molecular formula of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular formula of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is C20H21N3O3S2.
What is the molecular weight of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular weight of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 415.10 g/mol.
Where can I buy 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
You can request a quote for 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-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-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6-isopropyl-6,8-dihydro-5H-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.