5-Chloro-3-phenylthioindole-2-carboxamide
TL;DR: 5-Chloro-3-phenylthioindole-2-carboxamide (CAS 1776-70-1) is a chemical compound with molecular formula C15H11ClN2OS and molecular weight 302.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-phenylsulfanyl-1H-indole-2-carboxamide
Also Known As: 5-Chloro-3-phenylthioindole-2-carboxamide, 5Cl3PhS-2IndolCONH2, 5-chloro-3-phenylsulfanyl-1H-indole-2-carboxamide, Sid 767399, 5Cl3PhS-2IndolCONH2 inhibitor 10
| Molecular Formula | C15H11ClN2OS |
|---|---|
| Molecular Weight | 302.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.02808 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 1776-70-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N |
| InChIKey | SEAXPFZOFZLHLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-3-phenylthioindole-2-carboxamide (CAS 1776-70-1), with molecular formula C15H11ClN2OS and molecular weight 302.03 g/mol. IUPAC: 5-chloro-3-phenylsulfanyl-1H-indole-2-carboxamide.
Chemical Property Profile of 5-Chloro-3-phenylthioindole-2-carboxamide
Property Insights of 5-Chloro-3-phenylthioindole-2-carboxamide
The XLogP value of 4.0 indicates that 5-Chloro-3-phenylthioindole-2-carboxamide 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 5-Chloro-3-phenylthioindole-2-carboxamide. Following Lipinski's Rule of Five, 5-Chloro-3-phenylthioindole-2-carboxamide 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 5-Chloro-3-phenylthioindole-2-carboxamide?
The CAS number of 5-Chloro-3-phenylthioindole-2-carboxamide is 1776-70-1.
What is the molecular formula of 5-Chloro-3-phenylthioindole-2-carboxamide?
The molecular formula of 5-Chloro-3-phenylthioindole-2-carboxamide is C15H11ClN2OS.
What is the molecular weight of 5-Chloro-3-phenylthioindole-2-carboxamide?
The molecular weight of 5-Chloro-3-phenylthioindole-2-carboxamide is 302.03 g/mol.
Where can I buy 5-Chloro-3-phenylthioindole-2-carboxamide?
You can request a quote for 5-Chloro-3-phenylthioindole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-phenylthioindole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-phenylthioindole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.