![1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone structure](/static/products/3782/378209-03-1.webp)
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone
TL;DR: 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone (CAS 378209-03-1) is a chemical compound with molecular formula C20H17N3OS and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone
Also Known As: BAS 03181835, 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone, 1-(10H,11H-dibenzo[b,f]azepin-5-yl)-2-pyrimidin-2-ylthioethan-1-one, 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(2-pyrimidinylsulfanyl)-1-ethanone, 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(pyrimidin-2-ylsulfanyl)ethanone
| Molecular Formula | C20H17N3OS |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.10922 |
| Heavy Atoms | 25 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 378209-03-1 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC=CC=N4 |
| InChIKey | OTBCOCQAXFXPFB-UHFFFAOYSA-N |
Product Overview
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone (CAS 378209-03-1), with molecular formula C20H17N3OS and molecular weight 347.11 g/mol. IUPAC: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone.
Chemical Property Profile of 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone
Property Insights of 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone
The XLogP value of 4.0 indicates that 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone. Following Lipinski's Rule of Five, 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone has 0 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 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone?
The CAS number of 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone is 378209-03-1.
What is the molecular formula of 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone?
The molecular formula of 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone is C20H17N3OS.
What is the molecular weight of 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone?
The molecular weight of 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone is 347.11 g/mol.
Where can I buy 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone?
You can request a quote for 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-pyrimidin-2-ylsulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.