4-((Phenylimino)methyl)benzene-1,2,3-triol
TL;DR: 4-((Phenylimino)methyl)benzene-1,2,3-triol (CAS 6316-69-4) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(phenyliminomethyl)benzene-1,2,3-triol
Also Known As: 4-((phenylimino)methyl)benzene-1,2,3-triol, T0518-4467, (4E)-4-(anilinomethylidene)-2,3-dihydroxycyclohexa-2,5-dien-1-one, (4E)-4-(anilinomethylidene)-2,3-dihydroxycyclohexa-2,5-dien-, 4-(anilinomethylidene)-2,3-dihydroxycyclohexa-2,5-dien-1-one
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 6316-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=CC2=C(C(=C(C=C2)O)O)O |
| InChIKey | VHOVVVIQTPGKFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((Phenylimino)methyl)benzene-1,2,3-triol (CAS 6316-69-4), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 4-(phenyliminomethyl)benzene-1,2,3-triol.
Chemical Property Profile of 4-((Phenylimino)methyl)benzene-1,2,3-triol
Property Insights of 4-((Phenylimino)methyl)benzene-1,2,3-triol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((Phenylimino)methyl)benzene-1,2,3-triol. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((Phenylimino)methyl)benzene-1,2,3-triol. Following Lipinski's Rule of Five, 4-((Phenylimino)methyl)benzene-1,2,3-triol has 3 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 4-((Phenylimino)methyl)benzene-1,2,3-triol?
The CAS number of 4-((Phenylimino)methyl)benzene-1,2,3-triol is 6316-69-4.
What is the molecular formula of 4-((Phenylimino)methyl)benzene-1,2,3-triol?
The molecular formula of 4-((Phenylimino)methyl)benzene-1,2,3-triol is C13H11NO3.
What is the molecular weight of 4-((Phenylimino)methyl)benzene-1,2,3-triol?
The molecular weight of 4-((Phenylimino)methyl)benzene-1,2,3-triol is 229.07 g/mol.
Where can I buy 4-((Phenylimino)methyl)benzene-1,2,3-triol?
You can request a quote for 4-((Phenylimino)methyl)benzene-1,2,3-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((Phenylimino)methyl)benzene-1,2,3-triol?
Yes, KEHONG BIO provides custom synthesis services for 4-((Phenylimino)methyl)benzene-1,2,3-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.