BRN 0898208
TL;DR: BRN 0898208 (CAS 1668-66-2) 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]-3-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one
Also Known As: 5-25-02-00170 (Beilstein Handbook Reference), 10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-8-methoxy-, 5-[2-(dimethylamino)ethyl]-3-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one, 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-methoxy-, 5-(2-dimethylaminoethyl)-3-methoxy-11H-benzo[b][1,4]benzodiazepin-6-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 | 1668-66-2 |
|---|---|
| SMILES | CN(C)CCN1C2=C(C=CC(=C2)OC)NC3=CC=CC=C3C1=O |
| InChIKey | ZELWYXSIOKOBDF-UHFFFAOYSA-N |
Product Overview
BRN 0898208 (CAS 1668-66-2), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 5-[2-(dimethylamino)ethyl]-3-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one.
Chemical Property Profile of BRN 0898208
Property Insights of BRN 0898208
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 0898208. With a topological polar surface area (TPSA) of 44.8 Ų, BRN 0898208 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRN 0898208 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 BRN 0898208?
The CAS number of BRN 0898208 is 1668-66-2.
What is the molecular formula of BRN 0898208?
The molecular formula of BRN 0898208 is C18H21N3O2.
What is the molecular weight of BRN 0898208?
The molecular weight of BRN 0898208 is 311.16 g/mol.
Where can I buy BRN 0898208?
You can request a quote for BRN 0898208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0898208?
Yes, KEHONG BIO provides custom synthesis services for BRN 0898208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.