AB01298997-01
TL;DR: AB01298997-01 (CAS 536719-36-5) is a chemical compound with molecular formula C18H21ClN4O2S and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butylsulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AB01298997-01, 8-(butylsulfanyl)-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-butylsulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 8-butylsulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-(butylthio)-7-(4-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H21ClN4O2S |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 3.0276 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.10736 |
| Heavy Atoms | 26 |
| Complexity | 1050.214 |
Chemical Identifiers
| CAS Number | 536719-36-5 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
AB01298997-01 (CAS 536719-36-5), with molecular formula C18H21ClN4O2S and molecular weight 392.11 g/mol. IUPAC: 8-butylsulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01298997-01
Property Insights of AB01298997-01
The XLogP value of 3.0276 indicates that AB01298997-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01298997-01. Following Lipinski's Rule of Five, AB01298997-01 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 AB01298997-01?
The CAS number of AB01298997-01 is 536719-36-5.
What is the molecular formula of AB01298997-01?
The molecular formula of AB01298997-01 is C18H21ClN4O2S.
What is the molecular weight of AB01298997-01?
The molecular weight of AB01298997-01 is 392.11 g/mol.
Where can I buy AB01298997-01?
You can request a quote for AB01298997-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01298997-01?
Yes, KEHONG BIO provides custom synthesis services for AB01298997-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.