AB00775121-01
TL;DR: AB00775121-01 (CAS 847246-56-4) is a chemical compound with molecular formula C26H29N5O3 and molecular weight 459.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,5-dimethylphenyl)methyl]-9-(4-ethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: AB00775121-01, 3-[(2,5-dimethylphenyl)methyl]-9-(4-ethoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 3-(2,5-dimethylbenzyl)-9-(4-ethoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-[(2,5-dimethylphenyl)methyl]-9-(4-ethoxyphenyl)-1-methyl-1,3,5-trihydro-6H,7 H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione, 3-[(2,5-dimethylphenyl)methyl]-9-(4-ethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C26H29N5O3 |
|---|---|
| Molecular Weight | 459.23 g/mol |
| LogP | 3.50234 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.22705 |
| Heavy Atoms | 34 |
| Complexity | 1494.3777 |
Chemical Identifiers
| CAS Number | 847246-56-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=C(C=CC(=C5)C)C |
Product Overview
AB00775121-01 (CAS 847246-56-4), with molecular formula C26H29N5O3 and molecular weight 459.23 g/mol. IUPAC: 3-[(2,5-dimethylphenyl)methyl]-9-(4-ethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of AB00775121-01
Property Insights of AB00775121-01
The XLogP value of 3.50234 indicates that AB00775121-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00775121-01. Following Lipinski's Rule of Five, AB00775121-01 has 0 hydrogen bond donor(s) and 5 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 AB00775121-01?
The CAS number of AB00775121-01 is 847246-56-4.
What is the molecular formula of AB00775121-01?
The molecular formula of AB00775121-01 is C26H29N5O3.
What is the molecular weight of AB00775121-01?
The molecular weight of AB00775121-01 is 459.23 g/mol.
Where can I buy AB00775121-01?
You can request a quote for AB00775121-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00775121-01?
Yes, KEHONG BIO provides custom synthesis services for AB00775121-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.