AB00592119-06
TL;DR: AB00592119-06 (CAS 331675-11-7) is a chemical compound with molecular formula C15H14BrClN4O4 and molecular weight 427.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
Also Known As: AB00592119-06, 8-bromo-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione, F0373-0595, 8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione
| Molecular Formula | C15H14BrClN4O4 |
|---|---|
| Molecular Weight | 427.99 g/mol |
| LogP | 1.2791 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.9887 |
| Heavy Atoms | 25 |
| Complexity | 1024.9178 |
Chemical Identifiers
| CAS Number | 331675-11-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=C(C=C3)Cl)O |
Product Overview
AB00592119-06 (CAS 331675-11-7), with molecular formula C15H14BrClN4O4 and molecular weight 427.99 g/mol. IUPAC: 8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of AB00592119-06
Property Insights of AB00592119-06
The XLogP value of 1.2791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00592119-06. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00592119-06. Following Lipinski's Rule of Five, AB00592119-06 has 2 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 AB00592119-06?
The CAS number of AB00592119-06 is 331675-11-7.
What is the molecular formula of AB00592119-06?
The molecular formula of AB00592119-06 is C15H14BrClN4O4.
What is the molecular weight of AB00592119-06?
The molecular weight of AB00592119-06 is 427.99 g/mol.
Where can I buy AB00592119-06?
You can request a quote for AB00592119-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00592119-06?
Yes, KEHONG BIO provides custom synthesis services for AB00592119-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.