AB01304478-01
TL;DR: AB01304478-01 (CAS 586984-31-8) is a chemical compound with molecular formula C19H22ClN5O2 and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-8-(cyclopentylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: AB01304478-01, 1-(4-chlorobenzyl)-8-(cyclopentylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-(4-chlorobenzyl)-8-(cyclopentylamino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(4-chlorophenyl)methyl]-8-(cyclopentylamino)-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C19H22ClN5O2 |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 2.4899 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.1462 |
| Heavy Atoms | 27 |
| Complexity | 1104.306 |
Chemical Identifiers
| CAS Number | 586984-31-8 |
|---|---|
| SMILES | CN1C2=C(N=C1NC3CCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C |
Product Overview
AB01304478-01 (CAS 586984-31-8), with molecular formula C19H22ClN5O2 and molecular weight 387.15 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-8-(cyclopentylamino)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01304478-01
Property Insights of AB01304478-01
The XLogP value of 2.4899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01304478-01. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01304478-01. Following Lipinski's Rule of Five, AB01304478-01 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 AB01304478-01?
The CAS number of AB01304478-01 is 586984-31-8.
What is the molecular formula of AB01304478-01?
The molecular formula of AB01304478-01 is C19H22ClN5O2.
What is the molecular weight of AB01304478-01?
The molecular weight of AB01304478-01 is 387.15 g/mol.
Where can I buy AB01304478-01?
You can request a quote for AB01304478-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01304478-01?
Yes, KEHONG BIO provides custom synthesis services for AB01304478-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.