![2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine structure](/static/products/488/488088-03-5.png)
2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine
TL;DR: 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine (CAS 488088-03-5) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3,5,7,9-pentaen-7-amine
Also Known As: 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine, 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.4793 |
| Topological Polar Surface Area | 92.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 1086.7241 |
Chemical Identifiers
| CAS Number | 488088-03-5 |
|---|---|
| SMILES | CC1(CC2=NC3=NC(=NC(=C3C=C2CO1)N)SCC4=CC5=C(C=C4)OCO5)C |
Product Overview
2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine (CAS 488088-03-5), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3,5,7,9-pentaen-7-amine.
Chemical Property Profile of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine
Property Insights of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine
The XLogP value of 3.4793 indicates that 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine. Following Lipinski's Rule of Five, 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[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)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine?
The CAS number of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine is 488088-03-5.
What is the molecular formula of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine?
The molecular formula of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine is C20H20N4O3S.
What is the molecular weight of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine?
The molecular weight of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine is 396.13 g/mol.
Where can I buy 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine?
You can request a quote for 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[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)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.