ChemDiv1_007581
TL;DR: ChemDiv1_007581 (CAS 332144-52-2) is a chemical compound with molecular formula C19H18N4OS and molecular weight 350.12 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-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: ChemDiv1_007581, BAS 01174024, 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone, AJ-292/13093061, BRD-K30988079-001-01-9
| Molecular Formula | C19H18N4OS |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 3.3707 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.12012 |
| Heavy Atoms | 25 |
| Complexity | 873.54736 |
Chemical Identifiers
| CAS Number | 332144-52-2 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 |
Product Overview
ChemDiv1_007581 (CAS 332144-52-2), with molecular formula C19H18N4OS and molecular weight 350.12 g/mol. IUPAC: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv1_007581
Property Insights of ChemDiv1_007581
The XLogP value of 3.3707 indicates that ChemDiv1_007581 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, ChemDiv1_007581 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007581 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 ChemDiv1_007581?
The CAS number of ChemDiv1_007581 is 332144-52-2.
What is the molecular formula of ChemDiv1_007581?
The molecular formula of ChemDiv1_007581 is C19H18N4OS.
What is the molecular weight of ChemDiv1_007581?
The molecular weight of ChemDiv1_007581 is 350.12 g/mol.
Where can I buy ChemDiv1_007581?
You can request a quote for ChemDiv1_007581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007581?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.