BAS 00619007
TL;DR: BAS 00619007 (CAS 328072-71-5) is a chemical compound with molecular formula C17H17ClN4O4S and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 00619007, AB01286550-01, ethyl {[7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate, ethyl 2-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate, ethyl 2-((7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
| Molecular Formula | C17H17ClN4O4S |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 1.7802 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.06592 |
| Heavy Atoms | 27 |
| Complexity | 1101.0494 |
Chemical Identifiers
| CAS Number | 328072-71-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C |
Product Overview
BAS 00619007 (CAS 328072-71-5), with molecular formula C17H17ClN4O4S and molecular weight 408.07 g/mol. IUPAC: ethyl 2-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00619007
Property Insights of BAS 00619007
The XLogP value of 1.7802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00619007. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619007. Following Lipinski's Rule of Five, BAS 00619007 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 00619007?
The CAS number of BAS 00619007 is 328072-71-5.
What is the molecular formula of BAS 00619007?
The molecular formula of BAS 00619007 is C17H17ClN4O4S.
What is the molecular weight of BAS 00619007?
The molecular weight of BAS 00619007 is 408.07 g/mol.
Where can I buy BAS 00619007?
You can request a quote for BAS 00619007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619007?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.