BAS 00491928
TL;DR: BAS 00491928 (CAS 331726-32-0) is a chemical compound with molecular formula C17H17N5O5S and molecular weight 403.10 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-propylpurine-2,6-dione
Also Known As: BAS 00491928, 3-methyl-8-((2-(4-nitrophenyl)-2-oxoethyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-7-propylpurine-2,6-dione, 3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]thio}-7-propyl-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-7-propyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H17N5O5S |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 1.7165 |
| Topological Polar Surface Area | 132.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.09503 |
| Heavy Atoms | 28 |
| Complexity | 1175.5968 |
Chemical Identifiers
| CAS Number | 331726-32-0 |
|---|---|
| SMILES | CCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C |
Product Overview
BAS 00491928 (CAS 331726-32-0), with molecular formula C17H17N5O5S and molecular weight 403.10 g/mol. IUPAC: 3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-7-propylpurine-2,6-dione.
Chemical Property Profile of BAS 00491928
Property Insights of BAS 00491928
The XLogP value of 1.7165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491928. The TPSA of 132.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491928. Following Lipinski's Rule of Five, BAS 00491928 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 00491928?
The CAS number of BAS 00491928 is 331726-32-0.
What is the molecular formula of BAS 00491928?
The molecular formula of BAS 00491928 is C17H17N5O5S.
What is the molecular weight of BAS 00491928?
The molecular weight of BAS 00491928 is 403.10 g/mol.
Where can I buy BAS 00491928?
You can request a quote for BAS 00491928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491928?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.