![5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide structure](/static/products/896/896858-03-0.png)
5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
TL;DR: 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide (CAS 896858-03-0) 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.
7,14,14-trimethyl-N-(3-propan-2-yloxypropyl)-13-oxa-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: 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide, N-(3-isopropoxypropyl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
| Molecular Formula | C20H27N5O3S |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 3.04362 |
| Topological Polar Surface Area | 90.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.18347 |
| Heavy Atoms | 29 |
| Complexity | 1069.3647 |
Chemical Identifiers
| CAS Number | 896858-03-0 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NC(=NN14)C(=O)NCCCOC(C)C |
Product Overview
5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide (CAS 896858-03-0), with molecular formula C20H27N5O3S and molecular weight 417.18 g/mol. IUPAC: 7,14,14-trimethyl-N-(3-propan-2-yloxypropyl)-13-oxa-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 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Property Insights of 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
The XLogP value of 3.04362 indicates that 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[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 90.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide. Following Lipinski's Rule of Five, 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide 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 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
The CAS number of 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is 896858-03-0.
What is the molecular formula of 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
The molecular formula of 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is C20H27N5O3S.
What is the molecular weight of 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
The molecular weight of 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':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 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
You can request a quote for 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':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 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5,10,10-trimethyl-N-[3-(propan-2-yloxy)propyl]-10,11-dihydro-8H-pyrano[4',3':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.