RefChem:1075227
TL;DR: RefChem:1075227 (CAS 112634-61-4) is a chemical compound with molecular formula C18H15ClFN3O and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-N-methylacetamide
Also Known As: (7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ylidene)-N-methylacetamide, Acetamide, 2-(7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-ylidene)-N-methyl-, (2E)-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-N-methylacetamide, ACETAMIDE,2-(7-CHLORO-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-YLIDENE)-N-METHYL-, RefChem:1075227
| Molecular Formula | C18H15ClFN3O |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 3.3719 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.08878 |
| Heavy Atoms | 24 |
| Complexity | 861.0924 |
Chemical Identifiers
| CAS Number | 112634-61-4 |
|---|---|
| SMILES | CNC(=O)/C=C/1\CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3F |
Product Overview
RefChem:1075227 (CAS 112634-61-4), with molecular formula C18H15ClFN3O and molecular weight 343.09 g/mol. IUPAC: (2E)-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-N-methylacetamide.
Chemical Property Profile of RefChem:1075227
Property Insights of RefChem:1075227
The XLogP value of 3.3719 indicates that RefChem:1075227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.49 Ų, RefChem:1075227 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075227 has 2 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 RefChem:1075227?
The CAS number of RefChem:1075227 is 112634-61-4.
What is the molecular formula of RefChem:1075227?
The molecular formula of RefChem:1075227 is C18H15ClFN3O.
What is the molecular weight of RefChem:1075227?
The molecular weight of RefChem:1075227 is 343.09 g/mol.
Where can I buy RefChem:1075227?
You can request a quote for RefChem:1075227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075227?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.