BAS 00619094
TL;DR: BAS 00619094 (CAS 304879-52-5) is a chemical compound with molecular formula C17H15BrCl2N4O2 and molecular weight 455.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1-[(Z)-3-chlorobut-2-enyl]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00619094, 8-bromo-7-(4-chlorobenzyl)-1-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-1-[(Z)-3-chlorobut-2-enyl]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione, (Z)-8-bromo-7-(4-chlorobenzyl)-1-(3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H15BrCl2N4O2 |
|---|---|
| Molecular Weight | 455.98 g/mol |
| LogP | 3.5035 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.97552 |
| Heavy Atoms | 26 |
| Complexity | 1122.846 |
Chemical Identifiers
| CAS Number | 304879-52-5 |
|---|---|
| SMILES | C/C(=C/CN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)Cl)Br)N(C1=O)C)/Cl |
Product Overview
BAS 00619094 (CAS 304879-52-5), with molecular formula C17H15BrCl2N4O2 and molecular weight 455.98 g/mol. IUPAC: 8-bromo-1-[(Z)-3-chlorobut-2-enyl]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00619094
Property Insights of BAS 00619094
The XLogP value of 3.5035 indicates that BAS 00619094 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 00619094. Following Lipinski's Rule of Five, BAS 00619094 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 00619094?
The CAS number of BAS 00619094 is 304879-52-5.
What is the molecular formula of BAS 00619094?
The molecular formula of BAS 00619094 is C17H15BrCl2N4O2.
What is the molecular weight of BAS 00619094?
The molecular weight of BAS 00619094 is 455.98 g/mol.
Where can I buy BAS 00619094?
You can request a quote for BAS 00619094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619094?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.