![2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol structure](/static/products/848/848920-72-9.png)
2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol
TL;DR: 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol (CAS 848920-72-9) is a chemical compound with molecular formula C19H29N3O3S2 and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-butylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-(2-hydroxyethyl)amino]ethanol
Also Known As: 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol, 2,2'-{[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]imino}diethanol
| Molecular Formula | C19H29N3O3S2 |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 3.2258 |
| Topological Polar Surface Area | 78.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.16504 |
| Heavy Atoms | 27 |
| Complexity | 773.1359 |
Chemical Identifiers
| CAS Number | 848920-72-9 |
|---|---|
| SMILES | CCCCSC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)N(CCO)CCO |
Product Overview
2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol (CAS 848920-72-9), with molecular formula C19H29N3O3S2 and molecular weight 411.17 g/mol. IUPAC: 2-[(5-butylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol
Property Insights of 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol
The XLogP value of 3.2258 indicates that 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol. Following Lipinski's Rule of Five, 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol has 2 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 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol?
The CAS number of 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol is 848920-72-9.
What is the molecular formula of 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol?
The molecular formula of 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol is C19H29N3O3S2.
What is the molecular weight of 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol?
The molecular weight of 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol is 411.17 g/mol.
Where can I buy 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol?
You can request a quote for 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)azanediyl)diethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.