Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-
TL;DR: Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)- (CAS 25759-76-6) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(phenylcarbamothioylamino)butanoic acid
Also Known As: gamma-Phenylthioureidobutyric acid, 4-(3-Phenyl-2-thioureido)butyric acid, 4-(3-phenylthioureido)butanoic acid, 4-[(anilinocarbothioyl)amino]butanoic acid, 4-(phenylcarbamothioylamino)butanoic acid
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.8378 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 354.26202 |
Chemical Identifiers
| CAS Number | 25759-76-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCCCC(=O)O |
Product Overview
Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)- (CAS 25759-76-6), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: 4-(phenylcarbamothioylamino)butanoic acid.
Chemical Property Profile of Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-
Property Insights of Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-
The XLogP value of 1.8378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-. Following Lipinski's Rule of Five, Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)- has 3 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 Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-?
The CAS number of Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)- is 25759-76-6.
What is the molecular formula of Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-?
The molecular formula of Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)- is C11H14N2O2S.
What is the molecular weight of Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-?
The molecular weight of Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)- is 238.08 g/mol.
Where can I buy Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-?
You can request a quote for Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.