BAS 01107454
TL;DR: BAS 01107454 (CAS 303970-49-2) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethylsulfanyl-7-(2-hydroxy-2-naphthalen-1-yloxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 01107454, 8-(ethylsulfanyl)-7-[2-hydroxy-2-(naphthalen-1-yloxy)ethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-ethylsulfanyl-7-(2-hydroxy-2-naphthalen-1-yloxyethyl)-3-methylpurine-2,6-dione, 8-ethylthio-7-(2-hydroxy-2-naphthyloxyethyl)-3-methyl-1,3,7-trihydropurine-2,6 -dione, 8-(ethylthio)-7-(2-hydroxy-2-(naphthalen-1-yloxy)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 2.0859 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 1302.3147 |
Chemical Identifiers
| CAS Number | 303970-49-2 |
|---|---|
| SMILES | CCSC1=NC2=C(N1CC(O)OC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C |
Product Overview
BAS 01107454 (CAS 303970-49-2), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: 8-ethylsulfanyl-7-(2-hydroxy-2-naphthalen-1-yloxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 01107454
Property Insights of BAS 01107454
The XLogP value of 2.0859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01107454. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107454. Following Lipinski's Rule of Five, BAS 01107454 has 2 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 01107454?
The CAS number of BAS 01107454 is 303970-49-2.
What is the molecular formula of BAS 01107454?
The molecular formula of BAS 01107454 is C20H20N4O4S.
What is the molecular weight of BAS 01107454?
The molecular weight of BAS 01107454 is 412.12 g/mol.
Where can I buy BAS 01107454?
You can request a quote for BAS 01107454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107454?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.