![3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid structure](/static/products/3873/387359-18-4.webp)
3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid
TL;DR: 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid (CAS 387359-18-4) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(4-propan-2-ylanilino)butanoic acid
Also Known As: 3-{[4-(propan-2-yl)phenyl]carbamoyl}propanoic acid, 4-oxo-4-(4-propan-2-ylanilino)butanoic acid, 4-((4-Isopropylphenyl)amino)-4-oxobutanoic acid, 4-(4-isopropylanilino)-4-oxobutanoic acid, 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 387359-18-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)CCC(=O)O |
| InChIKey | DMNDZLDETMPEKO-UHFFFAOYSA-N |
Product Overview
3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid (CAS 387359-18-4), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: 4-oxo-4-(4-propan-2-ylanilino)butanoic acid.
Chemical Property Profile of 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid
Property Insights of 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid. Following Lipinski's Rule of Five, 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid has 2 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-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid?
The CAS number of 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid is 387359-18-4.
What is the molecular formula of 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid?
The molecular formula of 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid is C13H17NO3.
What is the molecular weight of 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid?
The molecular weight of 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid is 235.12 g/mol.
Where can I buy 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid?
You can request a quote for 3-{N-[4-(methylethyl)phenyl]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-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{N-[4-(methylethyl)phenyl]carbamoyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.