2(3H)-benzoxazolone, 3-methyl-5-nitro-
TL;DR: 2(3H)-benzoxazolone, 3-methyl-5-nitro- (CAS 101084-60-0) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-nitro-1,3-benzoxazol-2-one
Also Known As: 3-methyl-5-nitrobenzo[d]oxazol-2(3H)-one, 2(3H)-benzoxazolone, 3-methyl-5-nitro-, 3-methyl-5-nitro-1,3-benzoxazol-2-one, 3-methyl-5-nitro-2,3-dihydro-1,3-benzoxazol-2-one, 3-methyl-5-nitro-2(3h)-benzoxazolone
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 101084-60-0 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O |
| InChIKey | NEUIGIUWAYOYAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(3H)-benzoxazolone, 3-methyl-5-nitro- (CAS 101084-60-0), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: 3-methyl-5-nitro-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-benzoxazolone, 3-methyl-5-nitro-
Property Insights of 2(3H)-benzoxazolone, 3-methyl-5-nitro-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-benzoxazolone, 3-methyl-5-nitro-. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-benzoxazolone, 3-methyl-5-nitro-. Following Lipinski's Rule of Five, 2(3H)-benzoxazolone, 3-methyl-5-nitro- has 0 hydrogen bond donor(s) and 4 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(3H)-benzoxazolone, 3-methyl-5-nitro-?
The CAS number of 2(3H)-benzoxazolone, 3-methyl-5-nitro- is 101084-60-0.
What is the molecular formula of 2(3H)-benzoxazolone, 3-methyl-5-nitro-?
The molecular formula of 2(3H)-benzoxazolone, 3-methyl-5-nitro- is C8H6N2O4.
What is the molecular weight of 2(3H)-benzoxazolone, 3-methyl-5-nitro-?
The molecular weight of 2(3H)-benzoxazolone, 3-methyl-5-nitro- is 194.03 g/mol.
Where can I buy 2(3H)-benzoxazolone, 3-methyl-5-nitro-?
You can request a quote for 2(3H)-benzoxazolone, 3-methyl-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-benzoxazolone, 3-methyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-benzoxazolone, 3-methyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.