o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol
TL;DR: o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol (CAS 84634-59-3) is a chemical compound with molecular formula C22H18N2O and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)-3H-1,5-benzodiazepin-4-yl]phenol
Also Known As: NIOSH/SN0900000, o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol, Phenol, o-(4-(p-tolyl)-3H-1,5-benzodiazepin-2-yl)-, 2-[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]phenol, 2-(4-(p-tolyl)-3H-benzo[b][1,4]diazepin-2-yl)phenol
| Molecular Formula | C22H18N2O |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 5.34592 |
| Topological Polar Surface Area | 44.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1419 |
| Heavy Atoms | 25 |
| Complexity | 984.9189 |
Chemical Identifiers
| CAS Number | 84634-59-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4O |
Product Overview
o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol (CAS 84634-59-3), with molecular formula C22H18N2O and molecular weight 326.14 g/mol. IUPAC: 2-[2-(4-methylphenyl)-3H-1,5-benzodiazepin-4-yl]phenol.
Chemical Property Profile of o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol
Property Insights of o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol
The XLogP value of 5.34592 indicates that o-(4-(p-Tolyl)-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 44.95 Ų, o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol?
The CAS number of o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol is 84634-59-3.
What is the molecular formula of o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol?
The molecular formula of o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol is C22H18N2O.
What is the molecular weight of o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol?
The molecular weight of o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol is 326.14 g/mol.
Where can I buy o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol?
You can request a quote for o-(4-(p-Tolyl)-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 o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for o-(4-(p-Tolyl)-3H-1,5-benzodiazepin-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.