2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol
TL;DR: 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol (CAS 41458-53-1) is a chemical compound with molecular formula C21H16N2O and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol
Also Known As: ChemDiv1_023461, 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol, J3.258.684H, Phenol, 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)-, 2-(4-Phenyl-3H-1,5-benzodiazepine-2-yl)phenol
| Molecular Formula | C21H16N2O |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.12625 |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 41458-53-1 |
|---|---|
| SMILES | C1C(=NC2=CC=CC=C2N=C1C3=CC=CC=C3O)C4=CC=CC=C4 |
| InChIKey | KAHVHCFQIWBPBS-UHFFFAOYSA-N |
Product Overview
2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol (CAS 41458-53-1), with molecular formula C21H16N2O and molecular weight 312.13 g/mol. IUPAC: 2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol.
Chemical Property Profile of 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol
Property Insights of 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol
The XLogP value of 4.3 indicates that 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.0 Ų, 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol has 1 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 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol?
The CAS number of 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol is 41458-53-1.
What is the molecular formula of 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol?
The molecular formula of 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol is C21H16N2O.
What is the molecular weight of 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol?
The molecular weight of 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol is 312.13 g/mol.
Where can I buy 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol?
You can request a quote for 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.