![2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine structure](/static/products/877/877808-91-8.png)
2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
TL;DR: 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine (CAS 877808-91-8) is a chemical compound with molecular formula C19H24N6OS2 and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,15,15-trimethyl-3-(3-methylbutylsulfanyl)-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene
Also Known As: 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine, 7-(isopentylthio)-2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine
| Molecular Formula | C19H24N6OS2 |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 4.28462 |
| Topological Polar Surface Area | 69.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.1453 |
| Heavy Atoms | 28 |
| Complexity | 1202.1084 |
Chemical Identifiers
| CAS Number | 877808-91-8 |
|---|---|
| SMILES | CC1=NN2C(=N1)C3=C(N4C2=NN=C4SCCC(C)C)SC5=C3CC(OC5)(C)C |
Product Overview
2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine (CAS 877808-91-8), with molecular formula C19H24N6OS2 and molecular weight 416.15 g/mol. IUPAC: 9,15,15-trimethyl-3-(3-methylbutylsulfanyl)-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene.
Chemical Property Profile of 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Property Insights of 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
The XLogP value of 4.28462 indicates that 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine. Following Lipinski's Rule of Five, 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine has 0 hydrogen bond donor(s) and 7 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 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine?
The CAS number of 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine is 877808-91-8.
What is the molecular formula of 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine?
The molecular formula of 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine is C19H24N6OS2.
What is the molecular weight of 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine?
The molecular weight of 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine is 416.15 g/mol.
Where can I buy 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine?
You can request a quote for 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,12,12-trimethyl-7-[(3-methylbutyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.