RefChem:1073883
TL;DR: RefChem:1073883 (CAS 18878-40-5) is a chemical compound with molecular formula C20H15Cl2N3O and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-5-phenyl-3-pyridin-1-ium-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one chloride
Also Known As: Pyridinium, 1-(7-chloro-2-oxo-5-phenyl-1,4-benzodiazepin-3-yl)-, chloride, 1-(6-chloro-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl)pyridinium chloride, 6-chloro-5-phenyl-3-pyridin-1-ium-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one;chloride, Pyridinium, 1-(7-chloro-2,3-dihydro-5-phenyl-2,3-dihydro-1H-1,4-benzod iazepin-3-yl)-, chloride, Pyridinium, 1-(7-chloro-2,3-dihydro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-, chloride
| Molecular Formula | C20H15Cl2N3O |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 0.62 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.0592 |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 18878-40-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C(=CC=C3)Cl)[N+]4=CC=CC=C4.[Cl-] |
| InChIKey | QUOOADSTZARQQV-UHFFFAOYSA-N |
Product Overview
RefChem:1073883 (CAS 18878-40-5), with molecular formula C20H15Cl2N3O and molecular weight 383.06 g/mol. IUPAC: 6-chloro-5-phenyl-3-pyridin-1-ium-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one chloride.
Chemical Property Profile of RefChem:1073883
Property Insights of RefChem:1073883
The XLogP value of 0.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073883. With a topological polar surface area (TPSA) of 45.3 Ų, RefChem:1073883 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1073883 has 1 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:1073883?
The CAS number of RefChem:1073883 is 18878-40-5.
What is the molecular formula of RefChem:1073883?
The molecular formula of RefChem:1073883 is C20H15Cl2N3O.
What is the molecular weight of RefChem:1073883?
The molecular weight of RefChem:1073883 is 383.06 g/mol.
Where can I buy RefChem:1073883?
You can request a quote for RefChem:1073883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073883?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.