RefChem:1075226
TL;DR: RefChem:1075226 (CAS 112634-60-3) is a chemical compound with molecular formula C17H13ClFN3O and molecular weight 329.07 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]acetamide
Also Known As: (7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ylidene)acetamide, Acetamide, 2-(7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-ylidene)-, (2E)-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetamide, RefChem:1075226, BRN 5113407
| Molecular Formula | C17H13ClFN3O |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 3.1112 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.07312 |
| Heavy Atoms | 23 |
| Complexity | 845.4822 |
Chemical Identifiers
| CAS Number | 112634-60-3 |
|---|---|
| SMILES | C1/C(=C\C(=O)N)/NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F |
Product Overview
RefChem:1075226 (CAS 112634-60-3), with molecular formula C17H13ClFN3O and molecular weight 329.07 g/mol. IUPAC: (2E)-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetamide.
Chemical Property Profile of RefChem:1075226
Property Insights of RefChem:1075226
The XLogP value of 3.1112 indicates that RefChem:1075226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075226. Following Lipinski's Rule of Five, RefChem:1075226 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:1075226?
The CAS number of RefChem:1075226 is 112634-60-3.
What is the molecular formula of RefChem:1075226?
The molecular formula of RefChem:1075226 is C17H13ClFN3O.
What is the molecular weight of RefChem:1075226?
The molecular weight of RefChem:1075226 is 329.07 g/mol.
Where can I buy RefChem:1075226?
You can request a quote for RefChem:1075226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075226?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.