RefChem:267854
TL;DR: RefChem:267854 (CAS 1972-74-3) is a chemical compound with molecular formula C21H27Cl3FN3O and molecular weight 461.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl-diethylazanium dichloride
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(o-fluorophenyl)-, dihydrochloride, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3,4,5-TETRAHYDRO-7-CHLORO-1-(2-(DIETHYLAMINO)ETHYL, 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl-diethylazanium dichloride, RefChem:267854
| Molecular Formula | C21H27Cl3FN3O |
|---|---|
| Molecular Weight | 461.12 g/mol |
| LogP | -4.59 |
| Topological Polar Surface Area | 41.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.12036 |
| Heavy Atoms | 29 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 1972-74-3 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C(=O)C[NH2+]C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.[Cl-].[Cl-] |
| InChIKey | XNKXLMDFIPIZOB-UHFFFAOYSA-N |
Product Overview
RefChem:267854 (CAS 1972-74-3), with molecular formula C21H27Cl3FN3O and molecular weight 461.12 g/mol. IUPAC: 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl-diethylazanium dichloride.
Chemical Property Profile of RefChem:267854
Property Insights of RefChem:267854
The XLogP value of -4.59 indicates that RefChem:267854 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.4 Ų, RefChem:267854 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267854 has 2 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:267854?
The CAS number of RefChem:267854 is 1972-74-3.
What is the molecular formula of RefChem:267854?
The molecular formula of RefChem:267854 is C21H27Cl3FN3O.
What is the molecular weight of RefChem:267854?
The molecular weight of RefChem:267854 is 461.12 g/mol.
Where can I buy RefChem:267854?
You can request a quote for RefChem:267854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267854?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.