BAS 00491836
TL;DR: BAS 00491836 (CAS 331725-95-2) is a chemical compound with molecular formula C20H23BrN4O4S and molecular weight 494.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 00491836, pentyl {[7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate, pentyl 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate, pentyl 2-((7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, pentyl 2-({7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
| Molecular Formula | C20H23BrN4O4S |
|---|---|
| Molecular Weight | 494.06 g/mol |
| LogP | 3.0596 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.06235 |
| Heavy Atoms | 30 |
| Complexity | 1167.8033 |
Chemical Identifiers
| CAS Number | 331725-95-2 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C |
Product Overview
BAS 00491836 (CAS 331725-95-2), with molecular formula C20H23BrN4O4S and molecular weight 494.06 g/mol. IUPAC: pentyl 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00491836
Property Insights of BAS 00491836
The XLogP value of 3.0596 indicates that BAS 00491836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491836. Following Lipinski's Rule of Five, BAS 00491836 has 1 hydrogen bond donor(s) and 6 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 00491836?
The CAS number of BAS 00491836 is 331725-95-2.
What is the molecular formula of BAS 00491836?
The molecular formula of BAS 00491836 is C20H23BrN4O4S.
What is the molecular weight of BAS 00491836?
The molecular weight of BAS 00491836 is 494.06 g/mol.
Where can I buy BAS 00491836?
You can request a quote for BAS 00491836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491836?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.