![3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid structure](/static/products/3802/380207-85-2.webp)
3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid
TL;DR: 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid (CAS 380207-85-2) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[2-(phenylcarbamothioylamino)ethylamino]butanoic acid
Also Known As: 3-({2-[(phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid, 3-[2-(phenylthiocarbamoylamino)ethylcarbamoyl]propanoic Acid, 4-oxo-4-[2-(phenylcarbamothioylamino)ethylamino]butanoic acid, 4-({2-[(anilinocarbonothioyl)amino]ethyl}amino)-4-oxobutanoic acid, 3-[N-(2-{[(phenylamino)thioxomethyl]amino}ethyl)carbamoyl]propanoic acid
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 0.954 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 465.189 |
Chemical Identifiers
| CAS Number | 380207-85-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCCNC(=O)CCC(=O)O |
Product Overview
3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid (CAS 380207-85-2), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: 4-oxo-4-[2-(phenylcarbamothioylamino)ethylamino]butanoic acid.
Chemical Property Profile of 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid
Property Insights of 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid
The XLogP value of 0.954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid. Following Lipinski's Rule of Five, 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid 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 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid?
The CAS number of 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid is 380207-85-2.
What is the molecular formula of 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid?
The molecular formula of 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid is C13H17N3O3S.
What is the molecular weight of 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid?
The molecular weight of 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid is 295.10 g/mol.
Where can I buy 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid?
You can request a quote for 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)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-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({2-[(Phenylcarbamothioyl)amino]ethyl}carbamoyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.