![3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol structure](/static/products/845/845800-07-9.png)
3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
TL;DR: 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol (CAS 845800-07-9) is a chemical compound with molecular formula C18H27N3O2S2 and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(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)amino]propan-1-ol
Also Known As: 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol, 3-{[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
| Molecular Formula | C18H27N3O2S2 |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 4.2291 |
| Topological Polar Surface Area | 67.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.15448 |
| Heavy Atoms | 25 |
| Complexity | 730.66974 |
Chemical Identifiers
| CAS Number | 845800-07-9 |
|---|---|
| SMILES | CCCCSC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)NCCCO |
Product Overview
3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol (CAS 845800-07-9), with molecular formula C18H27N3O2S2 and molecular weight 381.15 g/mol. IUPAC: 3-[(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)amino]propan-1-ol.
Chemical Property Profile of 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
Property Insights of 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
The XLogP value of 4.2291 indicates that 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol. Following Lipinski's Rule of Five, 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol has 2 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 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
The CAS number of 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol is 845800-07-9.
What is the molecular formula of 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
The molecular formula of 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol is C18H27N3O2S2.
What is the molecular weight of 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
The molecular weight of 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol is 381.15 g/mol.
Where can I buy 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
You can request a quote for 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.