RefChem:1065053
TL;DR: RefChem:1065053 (CAS 40967-08-6) is a chemical compound with molecular formula C17H10Cl4N2O3 and molecular weight 429.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate
Also Known As: 5-25-02-00237 (Beilstein Handbook Reference), 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-hydroxy-5-phenyl-, trichloroacetate, 7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one trichloroacetate, 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl trichloroacetate, (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate
| Molecular Formula | C17H10Cl4N2O3 |
|---|---|
| Molecular Weight | 429.94 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.9416 |
| Heavy Atoms | 26 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 40967-08-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)C(Cl)(Cl)Cl |
| InChIKey | RXHIJLYQGHHNSU-UHFFFAOYSA-N |
Product Overview
RefChem:1065053 (CAS 40967-08-6), with molecular formula C17H10Cl4N2O3 and molecular weight 429.94 g/mol. IUPAC: (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate.
Chemical Property Profile of RefChem:1065053
Property Insights of RefChem:1065053
The XLogP value of 4.8 indicates that RefChem:1065053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065053. Following Lipinski's Rule of Five, RefChem:1065053 has 1 hydrogen bond donor(s) and 4 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:1065053?
The CAS number of RefChem:1065053 is 40967-08-6.
What is the molecular formula of RefChem:1065053?
The molecular formula of RefChem:1065053 is C17H10Cl4N2O3.
What is the molecular weight of RefChem:1065053?
The molecular weight of RefChem:1065053 is 429.94 g/mol.
Where can I buy RefChem:1065053?
You can request a quote for RefChem:1065053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065053?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.