1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
TL;DR: 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 866138-33-2) is a chemical compound with molecular formula C16H15ClN2O and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-1,5-benzodiazepin-4-one
Also Known As: 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one, 5-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-1,5-benzodiazepin-4-one, 8W-0868
| Molecular Formula | C16H15ClN2O |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 3.6888 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.08728 |
| Heavy Atoms | 20 |
| Complexity | 624.6289 |
Chemical Identifiers
| CAS Number | 866138-33-2 |
|---|---|
| SMILES | C1CNC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)Cl |
Product Overview
1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 866138-33-2), with molecular formula C16H15ClN2O and molecular weight 286.09 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-1,5-benzodiazepin-4-one.
Chemical Property Profile of 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Property Insights of 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 3.6888 indicates that 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one has 1 hydrogen bond donor(s) and 2 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-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 866138-33-2.
What is the molecular formula of 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is C16H15ClN2O.
What is the molecular weight of 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 286.09 g/mol.
Where can I buy 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.