RefChem:1065052
TL;DR: RefChem:1065052 (CAS 40967-07-5) is a chemical compound with molecular formula C18H12Cl4N2O3 and molecular weight 443.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate
Also Known As: 5-25-02-00243 (Beilstein Handbook Reference), 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-hydroxy-1-methyl-5-phenyl-, trichloroacetate, 7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one trichloroacetate, (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate, 7-Chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl trichloroacetate
| Molecular Formula | C18H12Cl4N2O3 |
|---|---|
| Molecular Weight | 443.96 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.95724 |
| Heavy Atoms | 27 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 40967-07-5 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)C(Cl)(Cl)Cl)C3=CC=CC=C3 |
| InChIKey | SRXPVAFPZMREOY-UHFFFAOYSA-N |
Product Overview
RefChem:1065052 (CAS 40967-07-5), with molecular formula C18H12Cl4N2O3 and molecular weight 443.96 g/mol. IUPAC: (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 2,2,2-trichloroacetate.
Chemical Property Profile of RefChem:1065052
Property Insights of RefChem:1065052
The XLogP value of 4.6 indicates that RefChem:1065052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, RefChem:1065052 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1065052 has 0 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:1065052?
The CAS number of RefChem:1065052 is 40967-07-5.
What is the molecular formula of RefChem:1065052?
The molecular formula of RefChem:1065052 is C18H12Cl4N2O3.
What is the molecular weight of RefChem:1065052?
The molecular weight of RefChem:1065052 is 443.96 g/mol.
Where can I buy RefChem:1065052?
You can request a quote for RefChem:1065052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065052?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.