AB00775056-01
TL;DR: AB00775056-01 (CAS 848754-44-9) is a chemical compound with molecular formula C23H22ClN5O2 and molecular weight 435.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methyl]-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: AB00775056-01, 3-(3-chlorobenzyl)-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-[(3-chlorophenyl)methyl]-1-methyl-9-(3-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 3-[(3-chlorophenyl)methyl]-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-(3-chlorobenzyl)-1-methyl-9-(m-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
| Molecular Formula | C23H22ClN5O2 |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | 3.44862 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.1462 |
| Heavy Atoms | 31 |
| Complexity | 1432.4141 |
Chemical Identifiers
| CAS Number | 848754-44-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=CC(=CC=C5)Cl |
Product Overview
AB00775056-01 (CAS 848754-44-9), with molecular formula C23H22ClN5O2 and molecular weight 435.15 g/mol. IUPAC: 3-[(3-chlorophenyl)methyl]-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of AB00775056-01
Property Insights of AB00775056-01
The XLogP value of 3.44862 indicates that AB00775056-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00775056-01. Following Lipinski's Rule of Five, AB00775056-01 has 0 hydrogen bond donor(s) and 4 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 AB00775056-01?
The CAS number of AB00775056-01 is 848754-44-9.
What is the molecular formula of AB00775056-01?
The molecular formula of AB00775056-01 is C23H22ClN5O2.
What is the molecular weight of AB00775056-01?
The molecular weight of AB00775056-01 is 435.15 g/mol.
Where can I buy AB00775056-01?
You can request a quote for AB00775056-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00775056-01?
Yes, KEHONG BIO provides custom synthesis services for AB00775056-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.