RefChem:305602
TL;DR: RefChem:305602 (CAS 1163-28-6) is a chemical compound with molecular formula C18H21N3OS and molecular weight 327.14053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(dimethylamino)ethyl]-2-methylsulfanyl-11H-benzo[b][1,4]benzodiazepin-6-one
Also Known As: 5-25-02-00170 (Beilstein Handbook Reference), 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-7-methylthio-, 10-(2-(Dimethylamino)ethyl)-7-methylthio-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepin-11-one, 5-(2-dimethylaminoethyl)-2-methylsulfanyl-11H-benzo[b][1,4]benzodiazepin-6-one, 10,11-Dihydro-10-[2-(dimethylamino)ethyl]-7-methylthio-5H-dibenzo[b,e][1,4]diazepin-11-one
Technical Specifications
| Molecular Formula | C18H21N3OS |
| Molecular Weight | 327.14053 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.14053 Da |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
| SMILES | CN(C)CCN1C2=C(C=C(C=C2)SC)NC3=CC=CC=C3C1=O |
| InChIKey | AETRUJSDQSYGEQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:305602
Property Insights of RefChem:305602
The XLogP value of 3.1 indicates that RefChem:305602 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305602. Following Lipinski's Rule of Five, RefChem:305602 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:305602?
The CAS number of RefChem:305602 is 1163-28-6.
What is the molecular formula of RefChem:305602?
The molecular formula of RefChem:305602 is C18H21N3OS.
What is the molecular weight of RefChem:305602?
The molecular weight of RefChem:305602 is 327.14053 g/mol.
Where can I buy RefChem:305602?
You can request a quote for RefChem:305602 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:305602?
Yes, CoreyChem provides custom synthesis services for RefChem:305602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.