![2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol structure](/static/products/840/840499-34-5.png)
2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
TL;DR: 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol (CAS 840499-34-5) is a chemical compound with molecular formula C20H23N3OS2 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-benzylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Also Known As: 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol, 2-[(2-benzylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, 2-{[2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
| Molecular Formula | C20H23N3OS2 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 4.6551 |
| Topological Polar Surface Area | 58.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.12827 |
| Heavy Atoms | 26 |
| Complexity | 894.9577 |
Chemical Identifiers
| CAS Number | 840499-34-5 |
|---|---|
| SMILES | CC(CO)NC1=C2C3=C(CCCC3)SC2=NC(=N1)SCC4=CC=CC=C4 |
Product Overview
2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol (CAS 840499-34-5), with molecular formula C20H23N3OS2 and molecular weight 385.13 g/mol. IUPAC: 2-[(2-benzylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.
Chemical Property Profile of 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
Property Insights of 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
The XLogP value of 4.6551 indicates that 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[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. With a topological polar surface area (TPSA) of 58.04 Ų, 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol has 2 hydrogen bond donor(s) and 6 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-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
The CAS number of 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol is 840499-34-5.
What is the molecular formula of 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
The molecular formula of 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol is C20H23N3OS2.
What is the molecular weight of 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
The molecular weight of 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol is 385.13 g/mol.
Where can I buy 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
You can request a quote for 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[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 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(benzylthio)-5,6,7,8-tetrahydrobenzo[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.