![2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide structure](/static/products/799/799809-11-3.png)
2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide
TL;DR: 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide (CAS 799809-11-3) is a chemical compound with molecular formula C26H31N5O2S2 and molecular weight 509.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-ethyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
Also Known As: 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide, 2-[(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
| Molecular Formula | C26H31N5O2S2 |
|---|---|
| Molecular Weight | 509.19 g/mol |
| LogP | 4.9823 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.19193 |
| Heavy Atoms | 35 |
| Complexity | 1362.8431 |
Chemical Identifiers
| CAS Number | 799809-11-3 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N14)SCC(=O)NC(C)CCC5=CC=CC=C5 |
Product Overview
2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide (CAS 799809-11-3), with molecular formula C26H31N5O2S2 and molecular weight 509.19 g/mol. IUPAC: 2-[(7-ethyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide.
Chemical Property Profile of 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide
Property Insights of 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide
The XLogP value of 4.9823 indicates that 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide?
The CAS number of 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide is 799809-11-3.
What is the molecular formula of 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide?
The molecular formula of 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide is C26H31N5O2S2.
What is the molecular weight of 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide?
The molecular weight of 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide is 509.19 g/mol.
Where can I buy 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide?
You can request a quote for 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.