BRN 0839945
TL;DR: BRN 0839945 (CAS 78110-18-6) 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]-2-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)-7-methoxy-, 10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-7-methoxy-, 5-(2-dimethylaminoethyl)-2-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one, 10,11-Dihydro-10-[2-(dimethylamino)ethyl]-7-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 | 78110-18-6 |
|---|---|
| SMILES | CN(C)CCN1C2=C(C=C(C=C2)OC)NC3=CC=CC=C3C1=O |
| InChIKey | PUOCOYOUPSVYDO-UHFFFAOYSA-N |
Product Overview
BRN 0839945 (CAS 78110-18-6), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 5-[2-(dimethylamino)ethyl]-2-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one.
Chemical Property Profile of BRN 0839945
Property Insights of BRN 0839945
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 0839945. With a topological polar surface area (TPSA) of 44.8 Ų, BRN 0839945 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRN 0839945 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 0839945?
The CAS number of BRN 0839945 is 78110-18-6.
What is the molecular formula of BRN 0839945?
The molecular formula of BRN 0839945 is C18H21N3O2.
What is the molecular weight of BRN 0839945?
The molecular weight of BRN 0839945 is 311.16 g/mol.
Where can I buy BRN 0839945?
You can request a quote for BRN 0839945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0839945?
Yes, KEHONG BIO provides custom synthesis services for BRN 0839945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.