BAS 05682202
TL;DR: BAS 05682202 (CAS 603078-71-3) is a chemical compound with molecular formula C18H17N5OS and molecular weight 351.12 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-(1-methyltetrazol-5-yl)sulfanylethanone
Also Known As: BAS 05682202, 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone, 5-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}-10,11-dihydro-5H-dibenzo[b,f]azepine, 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanone, 1-(10H,11H-dibenzo[b,f]azepin-5-yl)-2-(1-methyl(1,2,3,4-tetraazol-5-ylthio))et han-1-one
| Molecular Formula | C18H17N5OS |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 2.7657 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1154 |
| Heavy Atoms | 25 |
| Complexity | 875.5897 |
Chemical Identifiers
| CAS Number | 603078-71-3 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 |
Product Overview
BAS 05682202 (CAS 603078-71-3), with molecular formula C18H17N5OS and molecular weight 351.12 g/mol. IUPAC: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of BAS 05682202
Property Insights of BAS 05682202
The XLogP value of 2.7657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05682202. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05682202. Following Lipinski's Rule of Five, BAS 05682202 has 0 hydrogen bond donor(s) and 5 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 BAS 05682202?
The CAS number of BAS 05682202 is 603078-71-3.
What is the molecular formula of BAS 05682202?
The molecular formula of BAS 05682202 is C18H17N5OS.
What is the molecular weight of BAS 05682202?
The molecular weight of BAS 05682202 is 351.12 g/mol.
Where can I buy BAS 05682202?
You can request a quote for BAS 05682202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05682202?
Yes, KEHONG BIO provides custom synthesis services for BAS 05682202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.