![1,2-Benzenediol, 3-[(phenylimino)methyl]- structure](/static/products/1689/168915-11-5.webp)
1,2-Benzenediol, 3-[(phenylimino)methyl]-
TL;DR: 1,2-Benzenediol, 3-[(phenylimino)methyl]- (CAS 168915-11-5) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenyliminomethyl)benzene-1,2-diol
Also Known As: 1,2-Benzenediol, 3-[(phenylimino)methyl]-, 3-(Phenyliminomethyl)benzene-1,2-diol, 3-Phenyliminomethyl-benzene-1,2-diol, 3-[(phenylimino)methyl]-1,2-benzenediol, 3-Phenyliminomethylbenzene-1,2-diol
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 168915-11-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=CC2=C(C(=CC=C2)O)O |
| InChIKey | IKCNVDHSEBASIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenediol, 3-[(phenylimino)methyl]- (CAS 168915-11-5), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: 3-(phenyliminomethyl)benzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 3-[(phenylimino)methyl]-
Property Insights of 1,2-Benzenediol, 3-[(phenylimino)methyl]-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 3-[(phenylimino)methyl]-. With a topological polar surface area (TPSA) of 52.8 Ų, 1,2-Benzenediol, 3-[(phenylimino)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenediol, 3-[(phenylimino)methyl]- has 2 hydrogen bond donor(s) and 3 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 1,2-Benzenediol, 3-[(phenylimino)methyl]-?
The CAS number of 1,2-Benzenediol, 3-[(phenylimino)methyl]- is 168915-11-5.
What is the molecular formula of 1,2-Benzenediol, 3-[(phenylimino)methyl]-?
The molecular formula of 1,2-Benzenediol, 3-[(phenylimino)methyl]- is C13H11NO2.
What is the molecular weight of 1,2-Benzenediol, 3-[(phenylimino)methyl]-?
The molecular weight of 1,2-Benzenediol, 3-[(phenylimino)methyl]- is 213.08 g/mol.
Where can I buy 1,2-Benzenediol, 3-[(phenylimino)methyl]-?
You can request a quote for 1,2-Benzenediol, 3-[(phenylimino)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 3-[(phenylimino)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 3-[(phenylimino)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.