RefChem:305604
TL;DR: RefChem:305604 (CAS 1668-68-4) is a chemical compound with molecular formula C18H21N3O and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(dimethylamino)ethyl]-3-methyl-11H-benzo[b][1,4]benzodiazepin-6-one
Also Known As: 5-24-04-00138 (Beilstein Handbook Reference), 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-methyl-, 10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-8-methyl-, 5-(2-dimethylaminoethyl)-3-methyl-11H-benzo[b][1,4]benzodiazepin-6-one, 10,11-Dihydro-10-[2-(dimethylamino)ethyl]-8-methyl-5H-dibenzo[b,e][1,4]diazepin-11-one
| Molecular Formula | C18H21N3O |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.16846 |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 1668-68-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=CC=CC=C3C(=O)N2CCN(C)C |
| InChIKey | NILIPHMATMTDJX-UHFFFAOYSA-N |
Product Overview
RefChem:305604 (CAS 1668-68-4), with molecular formula C18H21N3O and molecular weight 295.17 g/mol. IUPAC: 5-[2-(dimethylamino)ethyl]-3-methyl-11H-benzo[b][1,4]benzodiazepin-6-one.
Chemical Property Profile of RefChem:305604
Property Insights of RefChem:305604
The XLogP value of 3.0 indicates that RefChem:305604 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:305604 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305604 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:305604?
The CAS number of RefChem:305604 is 1668-68-4.
What is the molecular formula of RefChem:305604?
The molecular formula of RefChem:305604 is C18H21N3O.
What is the molecular weight of RefChem:305604?
The molecular weight of RefChem:305604 is 295.17 g/mol.
Where can I buy RefChem:305604?
You can request a quote for RefChem:305604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305604?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.