![methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate structure](/static/products/893/893947-65-4.png)
methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate
TL;DR: methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate (CAS 893947-65-4) is a chemical compound with molecular formula C17H14ClN5O4 and molecular weight 387.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate
Also Known As: methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate, methyl 2-(8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-7,8-dihydro-1H-imidazo[2,1-f]purin-3(2H,4H,6H)-yl)acetate, methyl 2-[6-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate
| Molecular Formula | C17H14ClN5O4 |
|---|---|
| Molecular Weight | 387.07 g/mol |
| LogP | 0.2201 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.07343 |
| Heavy Atoms | 27 |
| Complexity | 1248.8156 |
Chemical Identifiers
| CAS Number | 893947-65-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N3CCN(C3=N2)C4=C=C=C(C=C4)Cl |
Product Overview
methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate (CAS 893947-65-4), with molecular formula C17H14ClN5O4 and molecular weight 387.07 g/mol. IUPAC: methyl 2-[6-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate.
Chemical Property Profile of methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate
Property Insights of methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate
The XLogP value of 0.2201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate. Following Lipinski's Rule of Five, methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate has 0 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 methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate?
The CAS number of methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate is 893947-65-4.
What is the molecular formula of methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate?
The molecular formula of methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate is C17H14ClN5O4.
What is the molecular weight of methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate?
The molecular weight of methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate is 387.07 g/mol.
Where can I buy methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate?
You can request a quote for methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [8-(4-chlorocyclohexa-1,2,3,5-tetraen-1-yl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.