BAS 00619046
TL;DR: BAS 00619046 (CAS 331839-88-4) is a chemical compound with molecular formula C22H22N6O4 and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-benzylidenehydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00619046, (E)-8-(2-benzylidenehydrazinyl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F0373-0916, 8-[(2E)-2-benzylidenehydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione, 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[(E)-2-(phenylmethylidene)hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C22H22N6O4 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 1.3092 |
| Topological Polar Surface Area | 126.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.17026 |
| Heavy Atoms | 32 |
| Complexity | 1342.1064 |
Chemical Identifiers
| CAS Number | 331839-88-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=CC=C3)CC(COC4=CC=CC=C4)O |
Product Overview
BAS 00619046 (CAS 331839-88-4), with molecular formula C22H22N6O4 and molecular weight 434.17 g/mol. IUPAC: 8-[(2E)-2-benzylidenehydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00619046
Property Insights of BAS 00619046
The XLogP value of 1.3092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00619046. The TPSA of 126.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619046. Following Lipinski's Rule of Five, BAS 00619046 has 3 hydrogen bond donor(s) and 7 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 BAS 00619046?
The CAS number of BAS 00619046 is 331839-88-4.
What is the molecular formula of BAS 00619046?
The molecular formula of BAS 00619046 is C22H22N6O4.
What is the molecular weight of BAS 00619046?
The molecular weight of BAS 00619046 is 434.17 g/mol.
Where can I buy BAS 00619046?
You can request a quote for BAS 00619046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619046?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.