Phenol, 2-benzyliminomethyl-4-nitro-
TL;DR: Phenol, 2-benzyliminomethyl-4-nitro- (CAS 478945-63-0) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzyliminomethyl)-4-nitrophenol
Also Known As: 2-[(benzylimino)methyl]-4-nitrophenol, 2-(Benzyliminomethyl)-4-nitrophenol, BAS 00548867, Phenol, 2-benzyliminomethyl-4-nitro-, 2-(Benzylimino-methyl)-4-nitro-phenol
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 478945-63-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN=CC2=C(C=CC(=C2)[N+](=O)[O-])O |
| InChIKey | STZBQLAYJVTDNW-UHFFFAOYSA-N |
Product Overview
Phenol, 2-benzyliminomethyl-4-nitro- (CAS 478945-63-0), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: 2-(benzyliminomethyl)-4-nitrophenol.
Chemical Property Profile of Phenol, 2-benzyliminomethyl-4-nitro-
Property Insights of Phenol, 2-benzyliminomethyl-4-nitro-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-benzyliminomethyl-4-nitro-. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2-benzyliminomethyl-4-nitro-. Following Lipinski's Rule of Five, Phenol, 2-benzyliminomethyl-4-nitro- 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 Phenol, 2-benzyliminomethyl-4-nitro-?
The CAS number of Phenol, 2-benzyliminomethyl-4-nitro- is 478945-63-0.
What is the molecular formula of Phenol, 2-benzyliminomethyl-4-nitro-?
The molecular formula of Phenol, 2-benzyliminomethyl-4-nitro- is C14H12N2O3.
What is the molecular weight of Phenol, 2-benzyliminomethyl-4-nitro-?
The molecular weight of Phenol, 2-benzyliminomethyl-4-nitro- is 256.08 g/mol.
Where can I buy Phenol, 2-benzyliminomethyl-4-nitro-?
You can request a quote for Phenol, 2-benzyliminomethyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-benzyliminomethyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-benzyliminomethyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.