BAS 02869918
TL;DR: BAS 02869918 (CAS 333744-77-7) is a chemical compound with molecular formula C20H24ClN5O3S and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: BAS 02869918, AN-989/40659714, A2950/0124263, N-tert-butyl-2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide, N-(tert-butyl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
| Molecular Formula | C20H24ClN5O3S |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 2.1422 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.12885 |
| Heavy Atoms | 30 |
| Complexity | 1236.1836 |
Chemical Identifiers
| CAS Number | 333744-77-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NC2=C(N1CC3=CC(=CC=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
BAS 02869918 (CAS 333744-77-7), with molecular formula C20H24ClN5O3S and molecular weight 449.13 g/mol. IUPAC: N-tert-butyl-2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of BAS 02869918
Property Insights of BAS 02869918
The XLogP value of 2.1422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02869918. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02869918. Following Lipinski's Rule of Five, BAS 02869918 has 1 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 02869918?
The CAS number of BAS 02869918 is 333744-77-7.
What is the molecular formula of BAS 02869918?
The molecular formula of BAS 02869918 is C20H24ClN5O3S.
What is the molecular weight of BAS 02869918?
The molecular weight of BAS 02869918 is 449.13 g/mol.
Where can I buy BAS 02869918?
You can request a quote for BAS 02869918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02869918?
Yes, KEHONG BIO provides custom synthesis services for BAS 02869918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.