4-(Nicotinylamino)phenol
TL;DR: 4-(Nicotinylamino)phenol (CAS 13174-32-8) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(pyridin-3-ylmethylamino)phenol
Also Known As: 4-(Nicotinylamino)phenol, 4-(3-pyridylmethylamino)phenol, 4-(pyridin-3-ylmethylamino)phenol, 4-[(3-Pyridinylmethyl)amino]phenol, Phenol, 4-[(3-pyridinylmethyl)amino]-
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 13174-32-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC2=CC=C(C=C2)O |
| InChIKey | NLPCVURSTXVCNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Nicotinylamino)phenol (CAS 13174-32-8), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 4-(pyridin-3-ylmethylamino)phenol.
Chemical Property Profile of 4-(Nicotinylamino)phenol
Property Insights of 4-(Nicotinylamino)phenol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Nicotinylamino)phenol. With a topological polar surface area (TPSA) of 45.2 Ų, 4-(Nicotinylamino)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Nicotinylamino)phenol 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 4-(Nicotinylamino)phenol?
The CAS number of 4-(Nicotinylamino)phenol is 13174-32-8.
What is the molecular formula of 4-(Nicotinylamino)phenol?
The molecular formula of 4-(Nicotinylamino)phenol is C12H12N2O.
What is the molecular weight of 4-(Nicotinylamino)phenol?
The molecular weight of 4-(Nicotinylamino)phenol is 200.09 g/mol.
Where can I buy 4-(Nicotinylamino)phenol?
You can request a quote for 4-(Nicotinylamino)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Nicotinylamino)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Nicotinylamino)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.