BAS 13558632
TL;DR: BAS 13558632 (CAS 849694-47-9) is a chemical compound with molecular formula C22H20N4OS and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: BAS 13558632, 1-(2-methyl-1H-indol-3-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(2-methylindol-3-yl)-2-(5-phenyl-4-prop-2-enyl(1,2,4-triazol-3-ylthio))ethan -1-one, 2-((4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C22H20N4OS |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 4.89582 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.13577 |
| Heavy Atoms | 28 |
| Complexity | 1144.0306 |
Chemical Identifiers
| CAS Number | 849694-47-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4 |
Product Overview
BAS 13558632 (CAS 849694-47-9), with molecular formula C22H20N4OS and molecular weight 388.14 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 13558632
Property Insights of BAS 13558632
The XLogP value of 4.89582 indicates that BAS 13558632 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13558632. Following Lipinski's Rule of Five, BAS 13558632 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 BAS 13558632?
The CAS number of BAS 13558632 is 849694-47-9.
What is the molecular formula of BAS 13558632?
The molecular formula of BAS 13558632 is C22H20N4OS.
What is the molecular weight of BAS 13558632?
The molecular weight of BAS 13558632 is 388.14 g/mol.
Where can I buy BAS 13558632?
You can request a quote for BAS 13558632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13558632?
Yes, KEHONG BIO provides custom synthesis services for BAS 13558632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.