ChemDiv1_004735
TL;DR: ChemDiv1_004735 (CAS 332103-75-0) is a chemical compound with molecular formula C20H25BrN6O4 and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: ChemDiv1_004735, BAS 01122576, 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0403-0057, 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H25BrN6O4 |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 0.3775 |
| Topological Polar Surface Area | 108.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.11206 |
| Heavy Atoms | 31 |
| Complexity | 1177.3287 |
Chemical Identifiers
| CAS Number | 332103-75-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=C(C=C4)Br)O)C(=O)NC(=O)N3C |
Product Overview
ChemDiv1_004735 (CAS 332103-75-0), with molecular formula C20H25BrN6O4 and molecular weight 492.11 g/mol. IUPAC: 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of ChemDiv1_004735
Property Insights of ChemDiv1_004735
The XLogP value of 0.3775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004735. The TPSA of 108.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004735. Following Lipinski's Rule of Five, ChemDiv1_004735 has 2 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 ChemDiv1_004735?
The CAS number of ChemDiv1_004735 is 332103-75-0.
What is the molecular formula of ChemDiv1_004735?
The molecular formula of ChemDiv1_004735 is C20H25BrN6O4.
What is the molecular weight of ChemDiv1_004735?
The molecular weight of ChemDiv1_004735 is 492.11 g/mol.
Where can I buy ChemDiv1_004735?
You can request a quote for ChemDiv1_004735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004735?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.