BAS 00732907
TL;DR: BAS 00732907 (CAS 303969-40-6) is a chemical compound with molecular formula C22H19N5O5S and molecular weight 465.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: BAS 00732907, 3-methyl-8-((2-(4-nitrophenyl)-2-oxoethyl)thio)-7-phenethyl-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-7-phenethylpurine-2,6-dione, 6-hydroxy-3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-7-(2-phenylethyl)-3,7-dihydro-2H-purin-2-one, 8-[(2-{4-nitrophenyl}-2-oxoethyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H19N5O5S |
|---|---|
| Molecular Weight | 465.11 g/mol |
| LogP | 2.5492 |
| Topological Polar Surface Area | 132.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.1107 |
| Heavy Atoms | 33 |
| Complexity | 1455.0559 |
Chemical Identifiers
| CAS Number | 303969-40-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4 |
Product Overview
BAS 00732907 (CAS 303969-40-6), with molecular formula C22H19N5O5S and molecular weight 465.11 g/mol. IUPAC: 3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of BAS 00732907
Property Insights of BAS 00732907
The XLogP value of 2.5492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00732907. The TPSA of 132.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00732907. Following Lipinski's Rule of Five, BAS 00732907 has 1 hydrogen bond donor(s) and 7 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 00732907?
The CAS number of BAS 00732907 is 303969-40-6.
What is the molecular formula of BAS 00732907?
The molecular formula of BAS 00732907 is C22H19N5O5S.
What is the molecular weight of BAS 00732907?
The molecular weight of BAS 00732907 is 465.11 g/mol.
Where can I buy BAS 00732907?
You can request a quote for BAS 00732907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00732907?
Yes, KEHONG BIO provides custom synthesis services for BAS 00732907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.