BAS 00619092
TL;DR: BAS 00619092 (CAS 331840-02-9) is a chemical compound with molecular formula C20H22BrClN4O4 and molecular weight 496.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[8-bromo-7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-1-yl]acetate
Also Known As: BAS 00619092, pentyl [8-bromo-7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate, F0373-0956, pentyl 2-(8-bromo-7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate, pentyl 2-{8-bromo-7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}acetate
| Molecular Formula | C20H22BrClN4O4 |
|---|---|
| Molecular Weight | 496.05 g/mol |
| LogP | 3.0943 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.0513 |
| Heavy Atoms | 30 |
| Complexity | 1180.7102 |
Chemical Identifiers
| CAS Number | 331840-02-9 |
|---|---|
| SMILES | CCCCCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)Cl)Br)N(C1=O)C |
Product Overview
BAS 00619092 (CAS 331840-02-9), with molecular formula C20H22BrClN4O4 and molecular weight 496.05 g/mol. IUPAC: pentyl 2-[8-bromo-7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-1-yl]acetate.
Chemical Property Profile of BAS 00619092
Property Insights of BAS 00619092
The XLogP value of 3.0943 indicates that BAS 00619092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619092. Following Lipinski's Rule of Five, BAS 00619092 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 BAS 00619092?
The CAS number of BAS 00619092 is 331840-02-9.
What is the molecular formula of BAS 00619092?
The molecular formula of BAS 00619092 is C20H22BrClN4O4.
What is the molecular weight of BAS 00619092?
The molecular weight of BAS 00619092 is 496.05 g/mol.
Where can I buy BAS 00619092?
You can request a quote for BAS 00619092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619092?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.