AB01305390-01
TL;DR: AB01305390-01 (CAS 317844-08-9) is a chemical compound with molecular formula C21H19Cl2N5O2 and molecular weight 443.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: AB01305390-01, 8-(benzylamino)-1-(3,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(benzylamino)-1-(3,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(benzylamino)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione, 8-(benzylamino)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C21H19Cl2N5O2 |
|---|---|
| Molecular Weight | 443.09 g/mol |
| LogP | 3.4009 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.09158 |
| Heavy Atoms | 30 |
| Complexity | 1356.0675 |
Chemical Identifiers
| CAS Number | 317844-08-9 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C |
Product Overview
AB01305390-01 (CAS 317844-08-9), with molecular formula C21H19Cl2N5O2 and molecular weight 443.09 g/mol. IUPAC: 8-(benzylamino)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01305390-01
Property Insights of AB01305390-01
The XLogP value of 3.4009 indicates that AB01305390-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305390-01. Following Lipinski's Rule of Five, AB01305390-01 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 AB01305390-01?
The CAS number of AB01305390-01 is 317844-08-9.
What is the molecular formula of AB01305390-01?
The molecular formula of AB01305390-01 is C21H19Cl2N5O2.
What is the molecular weight of AB01305390-01?
The molecular weight of AB01305390-01 is 443.09 g/mol.
Where can I buy AB01305390-01?
You can request a quote for AB01305390-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305390-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305390-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.