BAS 00733948
TL;DR: BAS 00733948 (CAS 303973-58-2) is a chemical compound with molecular formula C20H15BrCl2N4O2 and molecular weight 491.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[(2-chlorophenyl)methyl]-1-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00733948, 8-bromo-7-(2-chlorobenzyl)-1-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-7-[(2-chlorophenyl)methyl]-1-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione, 8-bromo-7-[(2-chlorophenyl)methyl]-1-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,7-bis[(2-chlorophenyl)methyl]-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dion e
| Molecular Formula | C20H15BrCl2N4O2 |
|---|---|
| Molecular Weight | 491.98 g/mol |
| LogP | 4.0626 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.97552 |
| Heavy Atoms | 29 |
| Complexity | 1339.838 |
Chemical Identifiers
| CAS Number | 303973-58-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)Br)CC4=CC=CC=C4Cl |
Product Overview
BAS 00733948 (CAS 303973-58-2), with molecular formula C20H15BrCl2N4O2 and molecular weight 491.98 g/mol. IUPAC: 8-bromo-7-[(2-chlorophenyl)methyl]-1-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00733948
Property Insights of BAS 00733948
The XLogP value of 4.0626 indicates that BAS 00733948 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00733948. Following Lipinski's Rule of Five, BAS 00733948 has 0 hydrogen bond donor(s) and 3 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 00733948?
The CAS number of BAS 00733948 is 303973-58-2.
What is the molecular formula of BAS 00733948?
The molecular formula of BAS 00733948 is C20H15BrCl2N4O2.
What is the molecular weight of BAS 00733948?
The molecular weight of BAS 00733948 is 491.98 g/mol.
Where can I buy BAS 00733948?
You can request a quote for BAS 00733948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00733948?
Yes, KEHONG BIO provides custom synthesis services for BAS 00733948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.