AB01309538-01
TL;DR: AB01309538-01 (CAS 384797-92-6) is a chemical compound with molecular formula C20H24N4O3S and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(3-methylbutyl)-8-phenacylsulfanylpurine-2,6-dione
Also Known As: AB01309538-01, 1,3-dimethyl-7-(3-methylbutyl)-8-phenacylsulfanylpurine-2,6-dione, 1,3-dimethyl-7-(3-methylbutyl)-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-isopentyl-1,3-dimethyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H24N4O3S |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 2.4548 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.15692 |
| Heavy Atoms | 28 |
| Complexity | 1126.2888 |
Chemical Identifiers
| CAS Number | 384797-92-6 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C |
Product Overview
AB01309538-01 (CAS 384797-92-6), with molecular formula C20H24N4O3S and molecular weight 400.16 g/mol. IUPAC: 1,3-dimethyl-7-(3-methylbutyl)-8-phenacylsulfanylpurine-2,6-dione.
Chemical Property Profile of AB01309538-01
Property Insights of AB01309538-01
The XLogP value of 2.4548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01309538-01. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01309538-01. Following Lipinski's Rule of Five, AB01309538-01 has 0 hydrogen bond donor(s) and 5 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 AB01309538-01?
The CAS number of AB01309538-01 is 384797-92-6.
What is the molecular formula of AB01309538-01?
The molecular formula of AB01309538-01 is C20H24N4O3S.
What is the molecular weight of AB01309538-01?
The molecular weight of AB01309538-01 is 400.16 g/mol.
Where can I buy AB01309538-01?
You can request a quote for AB01309538-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01309538-01?
Yes, KEHONG BIO provides custom synthesis services for AB01309538-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.