AB00775281-01
TL;DR: AB00775281-01 (CAS 862243-89-8) is a chemical compound with molecular formula C23H21ClFN5O2 and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: AB00775281-01, 9-(4-chlorophenyl)-3-(4-fluorobenzyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 9-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-1,3,5-trihydro-6H,7 H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C23H21ClFN5O2 |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 3.5253 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.13678 |
| Heavy Atoms | 32 |
| Complexity | 1437.2562 |
Chemical Identifiers
| CAS Number | 862243-89-8 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl |
Product Overview
AB00775281-01 (CAS 862243-89-8), with molecular formula C23H21ClFN5O2 and molecular weight 453.14 g/mol. IUPAC: 9-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of AB00775281-01
Property Insights of AB00775281-01
The XLogP value of 3.5253 indicates that AB00775281-01 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 AB00775281-01. Following Lipinski's Rule of Five, AB00775281-01 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 AB00775281-01?
The CAS number of AB00775281-01 is 862243-89-8.
What is the molecular formula of AB00775281-01?
The molecular formula of AB00775281-01 is C23H21ClFN5O2.
What is the molecular weight of AB00775281-01?
The molecular weight of AB00775281-01 is 453.14 g/mol.
Where can I buy AB00775281-01?
You can request a quote for AB00775281-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00775281-01?
Yes, KEHONG BIO provides custom synthesis services for AB00775281-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.