![9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide structure](/static/products/899/899402-77-8.png)
9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
TL;DR: 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide (CAS 899402-77-8) is a chemical compound with molecular formula C20H27N5O3S and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
Also Known As: 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide, 9-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
| Molecular Formula | C20H27N5O3S |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 2.2287 |
| Topological Polar Surface Area | 101.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.18347 |
| Heavy Atoms | 29 |
| Complexity | 1036.2527 |
Chemical Identifiers
| CAS Number | 899402-77-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C(=O)NCCOCCO |
Product Overview
9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide (CAS 899402-77-8), with molecular formula C20H27N5O3S and molecular weight 417.18 g/mol. IUPAC: 13-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide.
Chemical Property Profile of 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Property Insights of 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
The XLogP value of 2.2287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide. The TPSA of 101.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide. Following Lipinski's Rule of Five, 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide 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 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
The CAS number of 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is 899402-77-8.
What is the molecular formula of 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
The molecular formula of 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is C20H27N5O3S.
What is the molecular weight of 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
The molecular weight of 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is 417.18 g/mol.
Where can I buy 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
You can request a quote for 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.