![5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide structure](/static/products/896/896858-90-5.png)
5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
TL;DR: 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide (CAS 896858-90-5) is a chemical compound with molecular formula C19H25N5O2S and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-N-(3-propan-2-yloxypropyl)-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: 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide, N-(3-isopropoxypropyl)-5-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
| Molecular Formula | C19H25N5O2S |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 3.07112 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.17288 |
| Heavy Atoms | 27 |
| Complexity | 991.21643 |
Chemical Identifiers
| CAS Number | 896858-90-5 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C4=NC(=NN14)C(=O)NCCCOC(C)C |
Product Overview
5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide (CAS 896858-90-5), with molecular formula C19H25N5O2S and molecular weight 387.17 g/mol. IUPAC: 7-methyl-N-(3-propan-2-yloxypropyl)-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 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Property Insights of 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
The XLogP value of 3.07112 indicates that 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide 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 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide. Following Lipinski's Rule of Five, 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide has 1 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 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
The CAS number of 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is 896858-90-5.
What is the molecular formula of 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
The molecular formula of 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is C19H25N5O2S.
What is the molecular weight of 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
The molecular weight of 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is 387.17 g/mol.
Where can I buy 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
You can request a quote for 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[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 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-N-[3-(propan-2-yloxy)propyl]-8,9,10,11-tetrahydro[1]benzothieno[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.