4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid
TL;DR: 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid (CAS 656816-52-3) is a chemical compound with molecular formula C25H32N2O3S and molecular weight 440.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2-ethylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
Also Known As: 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid, 4-({[(2-ETHYLPHENYL)CARBAMOTHIOYL][(4-METHOXYPHENYL)METHYL]AMINO}METHYL)CYCLOHEXANE-1-CARBOXYLIC ACID, 4-[[(2-ethylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid, 4-{[{[(2-ethylphenyl)amino]carbonothioyl}(4-methoxybenzyl)amino]methyl}cyclohexanecarboxylic acid
| Molecular Formula | C25H32N2O3S |
|---|---|
| Molecular Weight | 440.21 g/mol |
| LogP | 5.3476 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.21338 |
| Heavy Atoms | 31 |
| Complexity | 876.59076 |
Chemical Identifiers
| CAS Number | 656816-52-3 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)OC |
Product Overview
4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid (CAS 656816-52-3), with molecular formula C25H32N2O3S and molecular weight 440.21 g/mol. IUPAC: 4-[[(2-ethylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid
Property Insights of 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid
The XLogP value of 5.3476 indicates that 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid. Following Lipinski's Rule of Five, 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid?
The CAS number of 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid is 656816-52-3.
What is the molecular formula of 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid?
The molecular formula of 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid is C25H32N2O3S.
What is the molecular weight of 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid?
The molecular weight of 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid is 440.21 g/mol.
Where can I buy 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid?
You can request a quote for 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-(2-Ethylphenyl)-1-(4-methoxybenzyl)thioureido)methyl)cyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.