![3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol structure](/static/products/304/304454-59-9.png)
3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol
TL;DR: 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol (CAS 304454-59-9) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methyl-4-nitrophenyl)iminomethyl]benzene-1,2-diol
Also Known As: BIM-0047278.P001, AN-329/11450172, 3-[({4-nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol, 3-{[(2-methyl-4-nitrophenyl)imino]methyl}-1,2-benzenediol, 3-[(2-methyl-4-nitrophenyl)iminomethyl]benzene-1,2-diol
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.06502 |
| Topological Polar Surface Area | 95.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 695.5684 |
Chemical Identifiers
| CAS Number | 304454-59-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])N=CC2=C(C(=CC=C2)O)O |
Product Overview
3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol (CAS 304454-59-9), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 3-[(2-methyl-4-nitrophenyl)iminomethyl]benzene-1,2-diol.
Chemical Property Profile of 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol
Property Insights of 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol
The XLogP value of 3.06502 indicates that 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol. Following Lipinski's Rule of Five, 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol has 2 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-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol?
The CAS number of 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol is 304454-59-9.
What is the molecular formula of 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol?
The molecular formula of 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol is C14H12N2O4.
What is the molecular weight of 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol?
The molecular weight of 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol is 272.08 g/mol.
Where can I buy 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol?
You can request a quote for 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 3-[({4-Nitro-2-methylphenyl}imino)methyl]-1,2-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.