![2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol structure](/static/products/898/898622-53-2.png)
2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol
TL;DR: 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol (CAS 898622-53-2) is a chemical compound with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl-[(14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methyl]amino]ethanol
Also Known As: 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol, 2-{benzyl[(10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]amino}ethanol
| Molecular Formula | C22H25N5O2S |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 3.1848 |
| Topological Polar Surface Area | 75.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.17288 |
| Heavy Atoms | 30 |
| Complexity | 1184.6549 |
Chemical Identifiers
| CAS Number | 898622-53-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NC(=NN4C=N3)CN(CCO)CC5=CC=CC=C5)C |
Product Overview
2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol (CAS 898622-53-2), with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol. IUPAC: 2-[benzyl-[(14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methyl]amino]ethanol.
Chemical Property Profile of 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol
Property Insights of 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol
The XLogP value of 3.1848 indicates that 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol. Following Lipinski's Rule of Five, 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol has 1 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-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol?
The CAS number of 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol is 898622-53-2.
What is the molecular formula of 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol?
The molecular formula of 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol is C22H25N5O2S.
What is the molecular weight of 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol?
The molecular weight of 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol is 423.17 g/mol.
Where can I buy 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol?
You can request a quote for 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzyl((10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)amino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.