AB00772781-01
TL;DR: AB00772781-01 (CAS 844663-32-7) is a chemical compound with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-methoxyphenyl)-1,7-dimethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: AB00772781-01, 9-(3-methoxyphenyl)-1,7-dimethyl-3-(4-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(3-methoxyphenyl)-1,7-dimethyl-3-[(4-methylphenyl)methyl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 9-(3-methoxyphenyl)-1,7-dimethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(3-methoxyphenyl)-1,7-dimethyl-3-[(4-methylphenyl)methyl]-1,3,5-trihydro-6H, 7H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C25H27N5O3 |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 3.04982 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.2114 |
| Heavy Atoms | 33 |
| Complexity | 1462.662 |
Chemical Identifiers
| CAS Number | 844663-32-7 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)C)C5=CC(=CC=C5)OC |
Product Overview
AB00772781-01 (CAS 844663-32-7), with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol. IUPAC: 9-(3-methoxyphenyl)-1,7-dimethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of AB00772781-01
Property Insights of AB00772781-01
The XLogP value of 3.04982 indicates that AB00772781-01 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 AB00772781-01. Following Lipinski's Rule of Five, AB00772781-01 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 AB00772781-01?
The CAS number of AB00772781-01 is 844663-32-7.
What is the molecular formula of AB00772781-01?
The molecular formula of AB00772781-01 is C25H27N5O3.
What is the molecular weight of AB00772781-01?
The molecular weight of AB00772781-01 is 445.21 g/mol.
Where can I buy AB00772781-01?
You can request a quote for AB00772781-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772781-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772781-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.