2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-
TL;DR: 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro- (CAS 172469-86-2) is a chemical compound with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzoxazol-2-ylsulfanyl)-5-methyl-3-nitro-1H-pyridin-2-one
Also Known As: 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-, 3-NO2-2-Pyridinone, BzOxazol-SH deriv., 4-(1,3-benzoxazol-2-ylsulfanyl)-5-methyl-3-nitro-1H-pyridin-2-one, 4-[(1,3-Benzoxazol-2-yl)sulfanyl]-5-methyl-3-nitropyridin-2(1H)-one
| Molecular Formula | C13H9N3O4S |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.03137 |
| Heavy Atoms | 21 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 172469-86-2 |
|---|---|
| SMILES | CC1=CNC(=O)C(=C1SC2=NC3=CC=CC=C3O2)[N+](=O)[O-] |
| InChIKey | KIKAUYCQFRYPET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro- (CAS 172469-86-2), with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol. IUPAC: 4-(1,3-benzoxazol-2-ylsulfanyl)-5-methyl-3-nitro-1H-pyridin-2-one.
Chemical Property Profile of 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-
Property Insights of 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-. Following Lipinski's Rule of Five, 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro- has 1 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 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-?
The CAS number of 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro- is 172469-86-2.
What is the molecular formula of 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-?
The molecular formula of 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro- is C13H9N3O4S.
What is the molecular weight of 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-?
The molecular weight of 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro- is 303.03 g/mol.
Where can I buy 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-?
You can request a quote for 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyridinone, 4-(2-benzoxazolylthio)-5-methyl-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.