4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-
TL;DR: 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)- (CAS 21787-26-8) is a chemical compound with molecular formula C9H7N3O5 and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide
Also Known As: 5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxamide, 4-ISOXAZOLECARBOXAMIDE, 5-METHYL-3-(5-NITRO-2-FURYL)-, 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide
| Molecular Formula | C9H7N3O5 |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.03857 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 21787-26-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)N |
| InChIKey | LNMBWRIBIWPSRZ-UHFFFAOYSA-N |
Product Overview
4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)- (CAS 21787-26-8), with molecular formula C9H7N3O5 and molecular weight 237.04 g/mol. IUPAC: 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-
Property Insights of 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-. Following Lipinski's Rule of Five, 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)- 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 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-?
The CAS number of 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)- is 21787-26-8.
What is the molecular formula of 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-?
The molecular formula of 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)- is C9H7N3O5.
What is the molecular weight of 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-?
The molecular weight of 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)- is 237.04 g/mol.
Where can I buy 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-?
You can request a quote for 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.