RefChem:1074404
TL;DR: RefChem:1074404 (CAS 52995-70-7) is a chemical compound with molecular formula C20H14Cl3N3O and molecular weight 417.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(2-chlorophenyl)-3-pyridin-1-ium-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one chloride
Also Known As: Pyridinium, 1-(7-chloro-5-(2-chlorophenyl)-2-oxo-1,4-benzodiazipin-3-yl)-, chloride, Pyridinium, 1-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-, chloride, 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]pyridinium chloride, Pyridinium,1-(7-chloro-5-(2-chlorophenyl)-2-oxo-1,4-benzodiazipin-3-yl)-,chloride, 1-(7-CHLORO-5-(2-CHLOROPHENYL)-2,3-DIHYDRO-2-OXO-1H-1,4-BENZODIAZEPIN-3-YL)PYRIDINIUM CHLORIDE
| Molecular Formula | C20H14Cl3N3O |
|---|---|
| Molecular Weight | 417.02 g/mol |
| LogP | 1.27 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.02023 |
| Heavy Atoms | 27 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 52995-70-7 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4Cl.[Cl-] |
| InChIKey | ZNHUCINMDMTNJG-UHFFFAOYSA-N |
Product Overview
RefChem:1074404 (CAS 52995-70-7), with molecular formula C20H14Cl3N3O and molecular weight 417.02 g/mol. IUPAC: 7-chloro-5-(2-chlorophenyl)-3-pyridin-1-ium-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one chloride.
Chemical Property Profile of RefChem:1074404
Property Insights of RefChem:1074404
The XLogP value of 1.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074404. With a topological polar surface area (TPSA) of 45.3 Ų, RefChem:1074404 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074404 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:1074404?
The CAS number of RefChem:1074404 is 52995-70-7.
What is the molecular formula of RefChem:1074404?
The molecular formula of RefChem:1074404 is C20H14Cl3N3O.
What is the molecular weight of RefChem:1074404?
The molecular weight of RefChem:1074404 is 417.02 g/mol.
Where can I buy RefChem:1074404?
You can request a quote for RefChem:1074404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074404?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.