4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
TL;DR: 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (CAS 82040-00-4) is a chemical compound with molecular formula C15H11ClN2O and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Also Known As: 4-(4-chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one, NCI60_015313, 2H-1,5-Benzodiazepin-2-one, 4-(4-chlorophenyl)-1,3-dihydro-, 4-(4-Chlorophenyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one, 4-(4-Chlorophenyl)-1H-1,5-benzodiazepin-2(3H)-one
| Molecular Formula | C15H11ClN2O |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.056 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 82040-00-4 |
|---|---|
| SMILES | C1C(=NC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)Cl |
| InChIKey | PHRODTFGFHUYEY-UHFFFAOYSA-N |
Product Overview
4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (CAS 82040-00-4), with molecular formula C15H11ClN2O and molecular weight 270.06 g/mol. IUPAC: 4-(4-chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.
Chemical Property Profile of 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Property Insights of 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
The XLogP value of 3.0 indicates that 4-(4-Chlorophenyl)-1,3-dihydro-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 41.5 Ų, 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-1,3-dihydro-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 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The CAS number of 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is 82040-00-4.
What is the molecular formula of 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The molecular formula of 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is C15H11ClN2O.
What is the molecular weight of 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The molecular weight of 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is 270.06 g/mol.
Where can I buy 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
You can request a quote for 4-(4-Chlorophenyl)-1,3-dihydro-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 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.