ChemDiv1_004691
TL;DR: ChemDiv1_004691 (CAS 313404-88-5) is a chemical compound with molecular formula C19H21BrN6O3 and molecular weight 460.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4-bromophenyl)-2-oxoethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: ChemDiv1_004691, BAS 01122564, VU0488347-1, 7-(2-(4-bromophenyl)-2-oxoethyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[2-(4-bromophenyl)-2-oxoethyl]-3-methyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H21BrN6O3 |
|---|---|
| Molecular Weight | 460.09 g/mol |
| LogP | 0.8205 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.08585 |
| Heavy Atoms | 29 |
| Complexity | 1185.6053 |
Chemical Identifiers
| CAS Number | 313404-88-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=C(C=C4)Br)C(=O)NC(=O)N3C |
Product Overview
ChemDiv1_004691 (CAS 313404-88-5), with molecular formula C19H21BrN6O3 and molecular weight 460.09 g/mol. IUPAC: 7-[2-(4-bromophenyl)-2-oxoethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of ChemDiv1_004691
Property Insights of ChemDiv1_004691
The XLogP value of 0.8205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004691. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004691. Following Lipinski's Rule of Five, ChemDiv1_004691 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_004691?
The CAS number of ChemDiv1_004691 is 313404-88-5.
What is the molecular formula of ChemDiv1_004691?
The molecular formula of ChemDiv1_004691 is C19H21BrN6O3.
What is the molecular weight of ChemDiv1_004691?
The molecular weight of ChemDiv1_004691 is 460.09 g/mol.
Where can I buy ChemDiv1_004691?
You can request a quote for ChemDiv1_004691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004691?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.