2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone
TL;DR: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone (CAS 586994-88-9) is a chemical compound with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone
Also Known As: CBKinase1_004963, CBKinase1_017363, BAS 06911119, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone, BRD-K40528122-001-01-8
| Molecular Formula | C18H14N2O2S |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0776 |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 586994-88-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4O3 |
| InChIKey | KIYNDWIYACDPMB-UHFFFAOYSA-N |
Product Overview
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone (CAS 586994-88-9), with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone.
Chemical Property Profile of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone
Property Insights of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone
The XLogP value of 4.5 indicates that 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone 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 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The CAS number of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone is 586994-88-9.
What is the molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone is C18H14N2O2S.
What is the molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone is 322.08 g/mol.
Where can I buy 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
You can request a quote for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.