![1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]- structure](/static/products/5407/540740-79-2.webp)
1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-
TL;DR: 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]- (CAS 540740-79-2) is a chemical compound with molecular formula C19H19ClN2OS and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)sulfanyl-5-chloro-1H-indole-2-carboxamide
Also Known As: 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-, 3-(4-tert-butylphenyl)sulfanyl-5-chloro-1H-indole-2-carboxamide, 1H-Indole-2-carboxamide,5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio], 3-[(4-TERT-BUTYLPHENYL)SULFANYL]-5-CHLORO-1H-INDOLE-2-CARBOXAMIDE
| Molecular Formula | C19H19ClN2OS |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.09067 |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 540740-79-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N |
| InChIKey | WTVZMJLLQMQJSL-UHFFFAOYSA-N |
Product Overview
1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]- (CAS 540740-79-2), with molecular formula C19H19ClN2OS and molecular weight 358.09 g/mol. IUPAC: 3-(4-tert-butylphenyl)sulfanyl-5-chloro-1H-indole-2-carboxamide.
Chemical Property Profile of 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-
Property Insights of 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-
The XLogP value of 5.6 indicates that 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]- 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 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-. Following Lipinski's Rule of Five, 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-?
The CAS number of 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]- is 540740-79-2.
What is the molecular formula of 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-?
The molecular formula of 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]- is C19H19ClN2OS.
What is the molecular weight of 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-?
The molecular weight of 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]- is 358.09 g/mol.
Where can I buy 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-?
You can request a quote for 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.