![3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one structure](/static/products/300/300588-56-1.png)
3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one
TL;DR: 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one (CAS 300588-56-1) is a chemical compound with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one
Also Known As: 3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one, 3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one, 3-(((2,4-dimethylphenyl)amino)methyl)-6-nitrobenzo[d]oxazol-2(3H)-one, 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one, 3-{[(2,4-DIMETHYLPHENYL)AMINO]METHYL}-6-NITRO-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE
| Molecular Formula | C16H15N3O4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.10626 |
| Heavy Atoms | 23 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 300588-56-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C |
| InChIKey | WINYRCCHZCJBTH-UHFFFAOYSA-N |
Product Overview
3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one (CAS 300588-56-1), with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol. IUPAC: 3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one
Property Insights of 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one
The XLogP value of 3.7 indicates that 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one has 1 hydrogen bond donor(s) and 5 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 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one is 300588-56-1.
What is the molecular formula of 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one is C16H15N3O4.
What is the molecular weight of 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one is 313.11 g/mol.
Where can I buy 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2,4-dimethylphenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.