5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol
TL;DR: 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol (CAS 2137-27-1) 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.
11-[3-(dimethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one
Also Known As: 5-24-04-00112 (Beilstein Handbook Reference), 5-(3-(Dimethylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one N-oxide, 11-[3-(dimethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one, 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(dimethylamino)propyl)-, N-oxide, 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 2137-27-1 |
|---|---|
| SMILES | CN(C)CCC[N+]1(C2=CC=CC=C2C(=O)NC3=CC=CC=C31)[O-] |
| InChIKey | SKTDURPTKBSEES-UHFFFAOYSA-N |
Product Overview
5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol (CAS 2137-27-1), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 11-[3-(dimethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one.
Chemical Property Profile of 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol
Property Insights of 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol. With a topological polar surface area (TPSA) of 50.4 Ų, 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol 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 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol?
The CAS number of 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol is 2137-27-1.
What is the molecular formula of 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol?
The molecular formula of 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol is C18H21N3O2.
What is the molecular weight of 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol?
The molecular weight of 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol is 311.16 g/mol.
Where can I buy 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol?
You can request a quote for 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(Dimethylamino)propyl)-5-oxo-5H-5lambda~5~-dibenzo(b,e)(1,4)diazepin-11-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.