![1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime structure](/static/products/7369/736971-95-2.webp)
1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime
TL;DR: 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime (CAS 736971-95-2) is a chemical compound with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-N-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-ylmethoxy)ethanimine
Also Known As: 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime
| Molecular Formula | C22H23N5O2S |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 4.5573 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.15726 |
| Heavy Atoms | 30 |
| Complexity | 1226.0204 |
Chemical Identifiers
| CAS Number | 736971-95-2 |
|---|---|
| SMILES | CC(=NOCC1=NN2C=NC3=C(C2=N1)C4=C(S3)CCCCC4)C5=CC=C(C=C5)OC |
Product Overview
1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime (CAS 736971-95-2), with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol. IUPAC: 1-(4-methoxyphenyl)-N-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-ylmethoxy)ethanimine.
Chemical Property Profile of 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime
Property Insights of 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime
The XLogP value of 4.5573 indicates that 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime has 0 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 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime?
The CAS number of 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime is 736971-95-2.
What is the molecular formula of 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime?
The molecular formula of 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime is C22H23N5O2S.
What is the molecular weight of 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime?
The molecular weight of 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime is 421.16 g/mol.
Where can I buy 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime?
You can request a quote for 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)ethanone O-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.