5-22-03-00022 (Beilstein Handbook Reference)
TL;DR: 5-22-03-00022 (Beilstein Handbook Reference) (CAS 72548-96-0) is a chemical compound with molecular formula C17H15ClN4O2S and molecular weight 374.06 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-(4-methoxyphenyl)thiourea
Also Known As: 5-22-03-00022 (Beilstein Handbook Reference), 1H-Indole-2-carboxylic acid, 4-chloro-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide, Semicarbazide, 1-((4-chloroindol-2-yl)carbonyl)-4-(p-methoxyphenyl)-3-thio-, 4-Chloro-1H-indole-2-carboxylic acid 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide, 1-[(4-chloro-1H-indole-2-carbonyl)amino]-3-(4-methoxyphenyl)
| Molecular Formula | C17H15ClN4O2S |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 3.4613 |
| Topological Polar Surface Area | 78.18 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.06042 |
| Heavy Atoms | 25 |
| Complexity | 924.0475 |
Chemical Identifiers
| CAS Number | 72548-96-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(N2)C=CC=C3Cl |
Product Overview
5-22-03-00022 (Beilstein Handbook Reference) (CAS 72548-96-0), with molecular formula C17H15ClN4O2S and molecular weight 374.06 g/mol. IUPAC: 1-[(4-chloro-1H-indole-2-carbonyl)amino]-3-(4-methoxyphenyl)thiourea.
Chemical Property Profile of 5-22-03-00022 (Beilstein Handbook Reference)
Property Insights of 5-22-03-00022 (Beilstein Handbook Reference)
The XLogP value of 3.4613 indicates that 5-22-03-00022 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-22-03-00022 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-22-03-00022 (Beilstein Handbook Reference) has 4 hydrogen bond donor(s) and 3 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 5-22-03-00022 (Beilstein Handbook Reference)?
The CAS number of 5-22-03-00022 (Beilstein Handbook Reference) is 72548-96-0.
What is the molecular formula of 5-22-03-00022 (Beilstein Handbook Reference)?
The molecular formula of 5-22-03-00022 (Beilstein Handbook Reference) is C17H15ClN4O2S.
What is the molecular weight of 5-22-03-00022 (Beilstein Handbook Reference)?
The molecular weight of 5-22-03-00022 (Beilstein Handbook Reference) is 374.06 g/mol.
Where can I buy 5-22-03-00022 (Beilstein Handbook Reference)?
You can request a quote for 5-22-03-00022 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-22-03-00022 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-22-03-00022 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.