![Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]- structure](/static/products/835/835898-34-5.png)
Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-
TL;DR: Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]- (CAS 835898-34-5) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole
Also Known As: Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 2.38972 |
| Topological Polar Surface Area | 84.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 525.5066 |
Chemical Identifiers
| CAS Number | 835898-34-5 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC=CN2 |
Product Overview
Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]- (CAS 835898-34-5), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole.
Chemical Property Profile of Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-
Property Insights of Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-
The XLogP value of 2.38972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-. The TPSA of 84.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-. Following Lipinski's Rule of Five, Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]- has 1 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 Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-?
The CAS number of Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]- is 835898-34-5.
What is the molecular formula of Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-?
The molecular formula of Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]- is C10H9N3O3.
What is the molecular weight of Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-?
The molecular weight of Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]- is 219.06 g/mol.
Where can I buy Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-?
You can request a quote for Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 3-methyl-4-nitro-5-[2-(1H-pyrrol-2-yl)ethenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.