BAS 00619047
TL;DR: BAS 00619047 (CAS 304877-86-9) is a chemical compound with molecular formula C22H21BrN6O4 and molecular weight 512.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00619047, 8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, (E)-8-(2-(4-bromobenzylidene)hydrazinyl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H21BrN6O4 |
|---|---|
| Molecular Weight | 512.08 g/mol |
| LogP | 2.0717 |
| Topological Polar Surface Area | 126.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.08075 |
| Heavy Atoms | 33 |
| Complexity | 1392.9213 |
Chemical Identifiers
| CAS Number | 304877-86-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)Br)CC(COC4=CC=CC=C4)O |
Product Overview
BAS 00619047 (CAS 304877-86-9), with molecular formula C22H21BrN6O4 and molecular weight 512.08 g/mol. IUPAC: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00619047
Property Insights of BAS 00619047
The XLogP value of 2.0717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00619047. The TPSA of 126.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619047. Following Lipinski's Rule of Five, BAS 00619047 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 00619047?
The CAS number of BAS 00619047 is 304877-86-9.
What is the molecular formula of BAS 00619047?
The molecular formula of BAS 00619047 is C22H21BrN6O4.
What is the molecular weight of BAS 00619047?
The molecular weight of BAS 00619047 is 512.08 g/mol.
Where can I buy BAS 00619047?
You can request a quote for BAS 00619047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619047?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.