BAS 13558633
TL;DR: BAS 13558633 (CAS 878440-47-2) is a chemical compound with molecular formula C21H19N5OS and molecular weight 389.13 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-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: BAS 13558633, 2-[(4-allyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]-1-(2-methyl-1H-indol-3-yl)ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(2-METHYL-1H-INDOL-3-YL)-2-{[4-(PROP-2-EN-1-YL)-5-(PYRIDIN-3-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHAN-1-ONE, 1-(2-methyl-1H-indol-3-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C21H19N5OS |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 4.29082 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.13104 |
| Heavy Atoms | 28 |
| Complexity | 1146.2899 |
Chemical Identifiers
| CAS Number | 878440-47-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(N3CC=C)C4=CN=CC=C4 |
Product Overview
BAS 13558633 (CAS 878440-47-2), with molecular formula C21H19N5OS and molecular weight 389.13 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 13558633
Property Insights of BAS 13558633
The XLogP value of 4.29082 indicates that BAS 13558633 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13558633. Following Lipinski's Rule of Five, BAS 13558633 has 1 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 13558633?
The CAS number of BAS 13558633 is 878440-47-2.
What is the molecular formula of BAS 13558633?
The molecular formula of BAS 13558633 is C21H19N5OS.
What is the molecular weight of BAS 13558633?
The molecular weight of BAS 13558633 is 389.13 g/mol.
Where can I buy BAS 13558633?
You can request a quote for BAS 13558633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13558633?
Yes, KEHONG BIO provides custom synthesis services for BAS 13558633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.