AB01305433-01
TL;DR: AB01305433-01 (CAS 305864-63-5) is a chemical compound with molecular formula C21H19ClFN5O2 and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chlorophenyl)methylamino]-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: AB01305433-01, 8-[(2-chlorobenzyl)amino]-1-(2-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((2-chlorobenzyl)amino)-1-(2-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(2-chlorophenyl)methylamino]-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C21H19ClFN5O2 |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 2.8866 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.12112 |
| Heavy Atoms | 30 |
| Complexity | 1372.3175 |
Chemical Identifiers
| CAS Number | 305864-63-5 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC=CC=C3Cl)N(C(=O)N(C2=O)CC4=CC=CC=C4F)C |
Product Overview
AB01305433-01 (CAS 305864-63-5), with molecular formula C21H19ClFN5O2 and molecular weight 427.12 g/mol. IUPAC: 8-[(2-chlorophenyl)methylamino]-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01305433-01
Property Insights of AB01305433-01
The XLogP value of 2.8866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01305433-01. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305433-01. Following Lipinski's Rule of Five, AB01305433-01 has 1 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 AB01305433-01?
The CAS number of AB01305433-01 is 305864-63-5.
What is the molecular formula of AB01305433-01?
The molecular formula of AB01305433-01 is C21H19ClFN5O2.
What is the molecular weight of AB01305433-01?
The molecular weight of AB01305433-01 is 427.12 g/mol.
Where can I buy AB01305433-01?
You can request a quote for AB01305433-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305433-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305433-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.