BAS 01107455
TL;DR: BAS 01107455 (CAS 303970-44-7) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-2-naphthalen-1-yloxyethyl)-3-methyl-8-propylsulfanylpurine-2,6-dione
Also Known As: BAS 01107455, 7-[2-hydroxy-2-(naphthalen-1-yloxy)ethyl]-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, 7-(2-hydroxy-2-naphthalen-1-yloxyethyl)-3-methyl-8-propylsulfanylpurine-2,6-dione, 7-(2-hydroxy-2-naphthyloxyethyl)-3-methyl-8-propylthio-1,3,7-trihydropurine-2, 6-dione, 6-hydroxy-7-[2-hydroxy-2-(naphthalen-1-yloxy)ethyl]-3-methyl-8-(propylsulfanyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.476 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 1319.0736 |
Chemical Identifiers
| CAS Number | 303970-44-7 |
|---|---|
| SMILES | CCCSC1=NC2=C(N1CC(O)OC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C |
Product Overview
BAS 01107455 (CAS 303970-44-7), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: 7-(2-hydroxy-2-naphthalen-1-yloxyethyl)-3-methyl-8-propylsulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 01107455
Property Insights of BAS 01107455
The XLogP value of 2.476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01107455. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107455. Following Lipinski's Rule of Five, BAS 01107455 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 01107455?
The CAS number of BAS 01107455 is 303970-44-7.
What is the molecular formula of BAS 01107455?
The molecular formula of BAS 01107455 is C21H22N4O4S.
What is the molecular weight of BAS 01107455?
The molecular weight of BAS 01107455 is 426.14 g/mol.
Where can I buy BAS 01107455?
You can request a quote for BAS 01107455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107455?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.