RefChem:305599
TL;DR: RefChem:305599 (CAS 3910-27-8) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(dimethylamino)ethyl]-9-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one
Also Known As: 5-25-02-00169 (Beilstein Handbook Reference), 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-3-methoxy-, 10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-3-methoxy-, 5-(2-dimethylaminoethyl)-9-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one, 10,11-Dihydro-10-[2-(dimethylamino)ethyl]-3-methoxy-5H-dibenzo[b,e][1,4]diazepin-11-one
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 3910-27-8 |
|---|---|
| SMILES | CN(C)CCN1C2=CC=CC=C2NC3=C(C1=O)C=CC(=C3)OC |
| InChIKey | QBBXYGIYHGHEKF-UHFFFAOYSA-N |
Product Overview
RefChem:305599 (CAS 3910-27-8), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 5-[2-(dimethylamino)ethyl]-9-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one.
Chemical Property Profile of RefChem:305599
Property Insights of RefChem:305599
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305599. With a topological polar surface area (TPSA) of 44.8 Ų, RefChem:305599 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305599 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
Frequently Asked Questions
What is the CAS number of RefChem:305599?
The CAS number of RefChem:305599 is 3910-27-8.
What is the molecular formula of RefChem:305599?
The molecular formula of RefChem:305599 is C18H21N3O2.
What is the molecular weight of RefChem:305599?
The molecular weight of RefChem:305599 is 311.16 g/mol.
Where can I buy RefChem:305599?
You can request a quote for RefChem:305599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305599?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.