BAS 00619060
TL;DR: BAS 00619060 (CAS 331839-92-0) is a chemical compound with molecular formula C23H23BrN6O4 and molecular weight 526.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00619060, 8-{(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl}-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, (E)-8-(2-(1-(4-bromophenyl)ethylidene)hydrazinyl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-{(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl}-6-hydroxy-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-2H-purin-2-one, 8-{[(1E)-2-(4-bromophenyl)-1-azaprop-1-enyl]amino}-7-(2-hydroxy-3-phenoxypropy l)-3-methyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C23H23BrN6O4 |
|---|---|
| Molecular Weight | 526.10 g/mol |
| LogP | 2.4618 |
| Topological Polar Surface Area | 126.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.09644 |
| Heavy Atoms | 34 |
| Complexity | 1440.8396 |
Chemical Identifiers
| CAS Number | 331839-92-0 |
|---|---|
| SMILES | C/C(=N\NC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)/C4=CC=C(C=C4)Br |
Product Overview
BAS 00619060 (CAS 331839-92-0), with molecular formula C23H23BrN6O4 and molecular weight 526.10 g/mol. IUPAC: 8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00619060
Property Insights of BAS 00619060
The XLogP value of 2.4618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00619060. The TPSA of 126.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619060. Following Lipinski's Rule of Five, BAS 00619060 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00619060?
The CAS number of BAS 00619060 is 331839-92-0.
What is the molecular formula of BAS 00619060?
The molecular formula of BAS 00619060 is C23H23BrN6O4.
What is the molecular weight of BAS 00619060?
The molecular weight of BAS 00619060 is 526.10 g/mol.
Where can I buy BAS 00619060?
You can request a quote for BAS 00619060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619060?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.