![N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide structure](/static/products/848/848991-75-3.png)
N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide
TL;DR: N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide (CAS 848991-75-3) is a chemical compound with molecular formula C21H21N7O3S2 and molecular weight 483.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2-[(9,15,15-trimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetamide
Also Known As: N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide, N-(furan-2-ylmethyl)-2-[(2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetamide
| Molecular Formula | C21H21N7O3S2 |
|---|---|
| Molecular Weight | 483.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.11472 |
| Heavy Atoms | 33 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 848991-75-3 |
|---|---|
| SMILES | CC1=NN2C(=N1)C3=C(N4C2=NN=C4SCC(=O)NCC5=CC=CO5)SC6=C3CC(OC6)(C)C |
| InChIKey | CYCLXUBTHJIUMP-UHFFFAOYSA-N |
Product Overview
N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide (CAS 848991-75-3), with molecular formula C21H21N7O3S2 and molecular weight 483.11 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-[(9,15,15-trimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide
Property Insights of N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide. The TPSA of 166.0 Ų indicates high polarity, suggesting N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide has 1 hydrogen bond donor(s) and 9 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 N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide?
The CAS number of N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide is 848991-75-3.
What is the molecular formula of N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide?
The molecular formula of N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide is C21H21N7O3S2.
What is the molecular weight of N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide?
The molecular weight of N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide is 483.11 g/mol.
Where can I buy N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide?
You can request a quote for N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(furan-2-ylmethyl)-2-((2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.