![methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate structure](/static/products/893/893958-91-3.png)
methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
TL;DR: methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate (CAS 893958-91-3) is a chemical compound with molecular formula C22H27N5O6 and molecular weight 457.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate, methyl {9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl}acetate, methyl 2-(9-(3,4-dimethoxyphenethyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate, methyl 2-{9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-1,3,5-trihydro-6 H,7H,8H-1,3-diazaperhydroino[1,2-h]purin-3-yl}acetate, methyl 2-{9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl}acetate
| Molecular Formula | C22H27N5O6 |
|---|---|
| Molecular Weight | 457.20 g/mol |
| LogP | 0.5397 |
| Topological Polar Surface Area | 109.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.19614 |
| Heavy Atoms | 33 |
| Complexity | 1321.5283 |
Chemical Identifiers
| CAS Number | 893958-91-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N3CCCN(C3=N2)CCC4=CC(=C(C=C4)OC)OC |
Product Overview
methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate (CAS 893958-91-3), with molecular formula C22H27N5O6 and molecular weight 457.20 g/mol. IUPAC: methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Property Insights of methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
The XLogP value of 0.5397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate. The TPSA of 109.82 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate. Following Lipinski's Rule of Five, methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate has 0 hydrogen bond donor(s) and 8 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 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate?
The CAS number of methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate is 893958-91-3.
What is the molecular formula of methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate?
The molecular formula of methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate is C22H27N5O6.
What is the molecular weight of methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate?
The molecular weight of methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate is 457.20 g/mol.
Where can I buy methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate?
You can request a quote for methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-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 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.