RefChem:305613
TL;DR: RefChem:305613 (CAS 15496-52-3) is a chemical compound with molecular formula C18H21Cl2N3O and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-11-methyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium chloride
Also Known As: 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-8-chloro-10-(2-(dimethylamino)ethyl)-5-methyl-, hydrochloride, 2-(3-chloro-11-methyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium chloride, 5H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 10,11-DIHYDRO-8-CHLORO-10-(2-(DIMETHYLAMINO, 11H-Dibenzo[b,e][1,4]diazepin-11-one, 8-chloro-10-[2-(dimethylamino)ethyl]-5,10-dihydro-5-methyl-, monohydrochloride, RefChem:305613
| Molecular Formula | C18H21Cl2N3O |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | -0.78 |
| Topological Polar Surface Area | 28.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.10617 |
| Heavy Atoms | 24 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 15496-52-3 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)N(C(=O)C3=CC=CC=C31)CC[NH+](C)C.[Cl-] |
| InChIKey | XVVNDHSRUVYMFD-UHFFFAOYSA-N |
Product Overview
RefChem:305613 (CAS 15496-52-3), with molecular formula C18H21Cl2N3O and molecular weight 365.11 g/mol. IUPAC: 2-(3-chloro-11-methyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:305613
Property Insights of RefChem:305613
The XLogP value of -0.78 indicates that RefChem:305613 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 28.0 Ų, RefChem:305613 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305613 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:305613?
The CAS number of RefChem:305613 is 15496-52-3.
What is the molecular formula of RefChem:305613?
The molecular formula of RefChem:305613 is C18H21Cl2N3O.
What is the molecular weight of RefChem:305613?
The molecular weight of RefChem:305613 is 365.11 g/mol.
Where can I buy RefChem:305613?
You can request a quote for RefChem:305613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305613?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.