![1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]- structure](/static/products/5407/540740-75-8.webp)
1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]-
TL;DR: 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]- (CAS 540740-75-8) is a chemical compound with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide
Also Known As: 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]-, 5-chloro-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide, 5-chloro-3-(p-tolylsulfanyl)-1H-indole-2-carboxamide, 1H-Indole-2-carboxamide,5-chloro-3-[(4-methylphenyl)thio], 5-CHLORO-3-[(4-METHYLPHENYL)SULFANYL]-1H-INDOLE-2-CARBOXAMIDE
| Molecular Formula | C16H13ClN2OS |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0437 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 540740-75-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N |
| InChIKey | POIPVJOOGQRPFF-UHFFFAOYSA-N |
Product Overview
1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]- (CAS 540740-75-8), with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol. IUPAC: 5-chloro-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide.
Chemical Property Profile of 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]-
Property Insights of 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]-
The XLogP value of 4.3 indicates that 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)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-methylphenyl)thio]-. Following Lipinski's Rule of Five, 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]- has 2 hydrogen bond donor(s) and 2 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 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]-?
The CAS number of 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]- is 540740-75-8.
What is the molecular formula of 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]-?
The molecular formula of 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]- is C16H13ClN2OS.
What is the molecular weight of 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]-?
The molecular weight of 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]- is 316.04 g/mol.
Where can I buy 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]-?
You can request a quote for 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)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-methylphenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.