RefChem:305608
TL;DR: RefChem:305608 (CAS 1668-69-5) is a chemical compound with molecular formula C17H18ClN3O and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Also Known As: 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-3-chloro-10-(2-(dimethylamino)ethyl)-, 10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 3-chloro-10-(2-(dimethylamino)ethyl)-, 9-chloro-5-(2-dimethylaminoethyl)-11H-benzo[b][1,4]benzodiazepin-6-one, 10,11-Dihydro-3-chloro-10-[2-(dimethylamino)ethyl]-5H-dibenzo[b,e][1,4]diazepin-11-one, 3-Chloro-10-[2-(dimethylamino)ethyl]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
| Molecular Formula | C17H18ClN3O |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.11383 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 1668-69-5 |
|---|---|
| SMILES | CN(C)CCN1C2=CC=CC=C2NC3=C(C1=O)C=CC(=C3)Cl |
| InChIKey | RQLAEVYQTOGNBK-UHFFFAOYSA-N |
Product Overview
RefChem:305608 (CAS 1668-69-5), with molecular formula C17H18ClN3O and molecular weight 315.11 g/mol. IUPAC: 9-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one.
Chemical Property Profile of RefChem:305608
Property Insights of RefChem:305608
The XLogP value of 3.2 indicates that RefChem:305608 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, RefChem:305608 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305608 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:305608?
The CAS number of RefChem:305608 is 1668-69-5.
What is the molecular formula of RefChem:305608?
The molecular formula of RefChem:305608 is C17H18ClN3O.
What is the molecular weight of RefChem:305608?
The molecular weight of RefChem:305608 is 315.11 g/mol.
Where can I buy RefChem:305608?
You can request a quote for RefChem:305608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305608?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.