![3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid structure](/static/products/554/5540-68-1.png)
3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid
TL;DR: 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid (CAS 5540-68-1) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)carbamothioylamino]propanoic acid
Also Known As: 3-(3-(4-methoxyphenyl)thioureido)propanoic acid, 3-[(4-methoxyphenyl)carbamothioylamino]propanoic acid, 3-[3-(p-Methoxyphenyl)thioureido]propionic acid, beta-Alanine, N-[[(4-methoxyphenyl)amino]thioxomethyl]-, 3-{[(4-METHOXYPHENYL)CARBAMOTHIOYL]AMINO}PROPANOIC ACID
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 1.4563 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 392.20795 |
Chemical Identifiers
| CAS Number | 5540-68-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NCCC(=O)O |
Product Overview
3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid (CAS 5540-68-1), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: 3-[(4-methoxyphenyl)carbamothioylamino]propanoic acid.
Chemical Property Profile of 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid
Property Insights of 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid
The XLogP value of 1.4563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid. Following Lipinski's Rule of Five, 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid has 3 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 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid?
The CAS number of 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid is 5540-68-1.
What is the molecular formula of 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid?
The molecular formula of 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid is C11H14N2O3S.
What is the molecular weight of 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid?
The molecular weight of 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid is 254.07 g/mol.
Where can I buy 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid?
You can request a quote for 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.