BAS 00491846
TL;DR: BAS 00491846 (CAS 328072-34-0) is a chemical compound with molecular formula C17H17BrN4O4S and molecular weight 452.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 00491846, AB00667650-01, AB00667650-02, ethyl {[7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate, F0373-0710
| Molecular Formula | C17H17BrN4O4S |
|---|---|
| Molecular Weight | 452.02 g/mol |
| LogP | 1.8893 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.01538 |
| Heavy Atoms | 27 |
| Complexity | 1118.2994 |
Chemical Identifiers
| CAS Number | 328072-34-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C |
Product Overview
BAS 00491846 (CAS 328072-34-0), with molecular formula C17H17BrN4O4S and molecular weight 452.02 g/mol. IUPAC: ethyl 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00491846
Property Insights of BAS 00491846
The XLogP value of 1.8893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491846. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491846. Following Lipinski's Rule of Five, BAS 00491846 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 00491846?
The CAS number of BAS 00491846 is 328072-34-0.
What is the molecular formula of BAS 00491846?
The molecular formula of BAS 00491846 is C17H17BrN4O4S.
What is the molecular weight of BAS 00491846?
The molecular weight of BAS 00491846 is 452.02 g/mol.
Where can I buy BAS 00491846?
You can request a quote for BAS 00491846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491846?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.