RefChem:267863
TL;DR: RefChem:267863 (CAS 4219-01-6) is a chemical compound with molecular formula C20H23ClN4O3 and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl]azanium chloride
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-7-nitro-5-phenyl-, monohydrochloride, 1-(3-(Dimethylamino)propyl)-1,3-dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one HCl, dimethyl-[3-(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl]azanium chloride, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-1-(3-(DIMETHYLAMINO)PROPYL)-7-NITRO-5-PH, RefChem:267863
| Molecular Formula | C20H23ClN4O3 |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | -1.68 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.14587 |
| Heavy Atoms | 28 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 4219-01-6 |
|---|---|
| SMILES | C[NH+](C)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.[Cl-] |
| InChIKey | JERMANHOFDIPQQ-UHFFFAOYSA-N |
Product Overview
RefChem:267863 (CAS 4219-01-6), with molecular formula C20H23ClN4O3 and molecular weight 402.15 g/mol. IUPAC: dimethyl-[3-(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl]azanium chloride.
Chemical Property Profile of RefChem:267863
Property Insights of RefChem:267863
The XLogP value of -1.68 indicates that RefChem:267863 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:267863. Following Lipinski's Rule of Five, RefChem:267863 has 1 hydrogen bond donor(s) and 5 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:267863?
The CAS number of RefChem:267863 is 4219-01-6.
What is the molecular formula of RefChem:267863?
The molecular formula of RefChem:267863 is C20H23ClN4O3.
What is the molecular weight of RefChem:267863?
The molecular weight of RefChem:267863 is 402.15 g/mol.
Where can I buy RefChem:267863?
You can request a quote for RefChem:267863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267863?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.