1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
TL;DR: 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 866138-34-3) is a chemical compound with molecular formula C17H17ClN2O3S and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-1-methylsulfonyl-2,3-dihydro-1,5-benzodiazepin-4-one
Also Known As: 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 5-[(4-chlorophenyl)methyl]-1-methylsulfonyl-2,3-dihydro-1,5-benzodiazepin-4-one, 1-[(4-chlorophenyl)methyl]-5-methanesulfonyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one, 8W-0878, 6-[(4-chlorophenyl)methyl]-2-methylsulfonyl-2,6-diazabicyclo[5.4.0]undeca-7,9,11-trien-5-one
| Molecular Formula | C17H17ClN2O3S |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 3.0429 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.06485 |
| Heavy Atoms | 24 |
| Complexity | 865.6593 |
Chemical Identifiers
| CAS Number | 866138-34-3 |
|---|---|
| SMILES | CS(=O)(=O)N1CCC(=O)N(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl |
Product Overview
1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 866138-34-3), with molecular formula C17H17ClN2O3S and molecular weight 364.06 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-1-methylsulfonyl-2,3-dihydro-1,5-benzodiazepin-4-one.
Chemical Property Profile of 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Property Insights of 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 3.0429 indicates that 1-(4-chlorobenzyl)-5-(methylsulfonyl)-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 57.69 Ų, 1-(4-chlorobenzyl)-5-(methylsulfonyl)-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)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one has 0 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-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 866138-34-3.
What is the molecular formula of 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is C17H17ClN2O3S.
What is the molecular weight of 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 364.06 g/mol.
Where can I buy 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 1-(4-chlorobenzyl)-5-(methylsulfonyl)-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)-5-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzyl)-5-(methylsulfonyl)-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.