5-nitro-indole
TL;DR: 5-nitro-indole (CAS 397289-20-2) is a chemical compound with molecular formula C21H14ClN3O2S2 and molecular weight 439.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-chlorobenzamide
Also Known As: 5-nitro-indole, N-[[(3Z)-3-(3H-BENZOTHIAZOL-2-YLIDENE)-4-OXO-1-CYCLOHEXA-1,5-DIENYL]THIOCARBAMOYL]-4-CHLORO-BENZAMIDE, N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide, 1-[3-(1,3-BENZOTHIAZOL-2-YL)-4-HYDROXYPHENYL]-3-(4-CHLOROBENZOYL)THIOUREA, 3-[3-(1,3-BENZOTHIAZOL-2-YL)-4-HYDROXYPHENYL]-1-(4-CHLOROBENZOYL)THIOUREA
| Molecular Formula | C21H14ClN3O2S2 |
|---|---|
| Molecular Weight | 439.02 g/mol |
| LogP | 5.4491 |
| Topological Polar Surface Area | 74.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.0216 |
| Heavy Atoms | 29 |
| Complexity | 1189.3186 |
Chemical Identifiers
| CAS Number | 397289-20-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl)O |
Product Overview
5-nitro-indole (CAS 397289-20-2), with molecular formula C21H14ClN3O2S2 and molecular weight 439.02 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-chlorobenzamide.
Chemical Property Profile of 5-nitro-indole
Property Insights of 5-nitro-indole
The XLogP value of 5.4491 indicates that 5-nitro-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-indole. Following Lipinski's Rule of Five, 5-nitro-indole has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-nitro-indole?
The CAS number of 5-nitro-indole is 397289-20-2.
What is the molecular formula of 5-nitro-indole?
The molecular formula of 5-nitro-indole is C21H14ClN3O2S2.
What is the molecular weight of 5-nitro-indole?
The molecular weight of 5-nitro-indole is 439.02 g/mol.
Where can I buy 5-nitro-indole?
You can request a quote for 5-nitro-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-indole?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.