1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide
TL;DR: 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide (CAS 72548-94-8) is a chemical compound with molecular formula C16H13ClN4OS and molecular weight 344.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chloro-1H-indole-2-carbonyl)amino]-3-phenylthiourea
Also Known As: 5-22-03-00022 (Beilstein Handbook Reference), 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide, Semicarbazide, 1-((4-chloroindol-2-yl)carbonyl)-4-phenyl-3-thio-, 1-[(4-chloro-1H-indole-2-carbonyl)amino]-3-phenylthiourea, 2-[(4-Chloro-1H-indol-2-yl)carbonyl]-N-phenylhydrazinecarbothioamide
| Molecular Formula | C16H13ClN4OS |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 3.4527 |
| Topological Polar Surface Area | 68.95 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.04987 |
| Heavy Atoms | 23 |
| Complexity | 862.9025 |
Chemical Identifiers
| CAS Number | 72548-94-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(N2)C=CC=C3Cl |
Product Overview
1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide (CAS 72548-94-8), with molecular formula C16H13ClN4OS and molecular weight 344.05 g/mol. IUPAC: 1-[(4-chloro-1H-indole-2-carbonyl)amino]-3-phenylthiourea.
Chemical Property Profile of 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide
Property Insights of 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide
The XLogP value of 3.4527 indicates that 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide has 4 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-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide?
The CAS number of 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide is 72548-94-8.
What is the molecular formula of 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide?
The molecular formula of 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide is C16H13ClN4OS.
What is the molecular weight of 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide?
The molecular weight of 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide is 344.05 g/mol.
Where can I buy 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide?
You can request a quote for 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide 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-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxylic acid, 4-chloro-, 2-((phenylamino)thioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.