ChemDiv1_004603
TL;DR: ChemDiv1_004603 (CAS 332103-62-5) is a chemical compound with molecular formula C19H23BrN6O2 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: ChemDiv1_004603, BAS 01122547, AB00137717-08, F0403-0028, 7-(3-bromobenzyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H23BrN6O2 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 0.9963 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.1066 |
| Heavy Atoms | 28 |
| Complexity | 1153.6659 |
Chemical Identifiers
| CAS Number | 332103-62-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC4=CC(=CC=C4)Br)C(=O)N(C(=O)N3C)C |
Product Overview
ChemDiv1_004603 (CAS 332103-62-5), with molecular formula C19H23BrN6O2 and molecular weight 446.11 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of ChemDiv1_004603
Property Insights of ChemDiv1_004603
The XLogP value of 0.9963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004603. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004603. Following Lipinski's Rule of Five, ChemDiv1_004603 has 0 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 ChemDiv1_004603?
The CAS number of ChemDiv1_004603 is 332103-62-5.
What is the molecular formula of ChemDiv1_004603?
The molecular formula of ChemDiv1_004603 is C19H23BrN6O2.
What is the molecular weight of ChemDiv1_004603?
The molecular weight of ChemDiv1_004603 is 446.11 g/mol.
Where can I buy ChemDiv1_004603?
You can request a quote for ChemDiv1_004603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004603?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.