![8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/488/488796-62-9.png)
8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 488796-62-9) is a chemical compound with molecular formula C26H21N3O4S2 and molecular weight 503.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(1,3-benzodioxol-5-ylmethylsulfanyl)-8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C26H21N3O4S2 |
|---|---|
| Molecular Weight | 503.10 g/mol |
| LogP | 6.3718 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.09735 |
| Heavy Atoms | 35 |
| Complexity | 1594.0612 |
Chemical Identifiers
| CAS Number | 488796-62-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC5=CC6=C(C=C5)OCO6)C7=CC=CO7)C |
Product Overview
8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 488796-62-9), with molecular formula C26H21N3O4S2 and molecular weight 503.10 g/mol. IUPAC: 13-(1,3-benzodioxol-5-ylmethylsulfanyl)-8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
Chemical Property Profile of 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Property Insights of 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 6.3718 indicates that 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine. Following Lipinski's Rule of Five, 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The CAS number of 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 488796-62-9.
What is the molecular formula of 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular formula of 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C26H21N3O4S2.
What is the molecular weight of 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular weight of 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 503.10 g/mol.
Where can I buy 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
You can request a quote for 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.