BAS 02720590
TL;DR: BAS 02720590 (CAS 335208-75-8) 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-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: BAS 02720590, AB00105239-01, AN-648/15101002, N-tert-butyl-2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide, N-tert-butyl-2-{[7-(2-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 | 335208-75-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C |
Product Overview
BAS 02720590 (CAS 335208-75-8), with molecular formula C20H24ClN5O3S and molecular weight 449.13 g/mol. IUPAC: N-tert-butyl-2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of BAS 02720590
Property Insights of BAS 02720590
The XLogP value of 2.1422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02720590. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02720590. Following Lipinski's Rule of Five, BAS 02720590 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 02720590?
The CAS number of BAS 02720590 is 335208-75-8.
What is the molecular formula of BAS 02720590?
The molecular formula of BAS 02720590 is C20H24ClN5O3S.
What is the molecular weight of BAS 02720590?
The molecular weight of BAS 02720590 is 449.13 g/mol.
Where can I buy BAS 02720590?
You can request a quote for BAS 02720590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02720590?
Yes, KEHONG BIO provides custom synthesis services for BAS 02720590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.