![3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/500/500270-38-2.png)
3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 500270-38-2) is a chemical compound with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-7,14,14-trimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H20N4O3S2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 4.51972 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.0977 |
| Heavy Atoms | 30 |
| Complexity | 1311.0598 |
Chemical Identifiers
| CAS Number | 500270-38-2 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N14)SCC5=CC6=C(C=C5)OCO6 |
Product Overview
3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 500270-38-2), with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-7,14,14-trimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 4.51972 indicates that 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine. Following Lipinski's Rule of Five, 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 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 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 500270-38-2.
What is the molecular formula of 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C21H20N4O3S2.
What is the molecular weight of 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 440.10 g/mol.
Where can I buy 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.