![4-[2-(Methoxycarbonyl)anilino]butanoic acid structure](/static/products/3811/38113-75-6.webp)
4-[2-(Methoxycarbonyl)anilino]butanoic acid
TL;DR: 4-[2-(Methoxycarbonyl)anilino]butanoic acid (CAS 38113-75-6) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxycarbonylanilino)butanoic acid
Also Known As: 4-(2-methoxycarbonylanilino)butanoic acid, 4-[2-(Methoxycarbonyl)anilino]butanoic acid
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 38113-75-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NCCCC(=O)O |
| InChIKey | XQKZQSJOWCRFHL-UHFFFAOYSA-N |
Product Overview
4-[2-(Methoxycarbonyl)anilino]butanoic acid (CAS 38113-75-6), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 4-(2-methoxycarbonylanilino)butanoic acid.
Chemical Property Profile of 4-[2-(Methoxycarbonyl)anilino]butanoic acid
Property Insights of 4-[2-(Methoxycarbonyl)anilino]butanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(Methoxycarbonyl)anilino]butanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(Methoxycarbonyl)anilino]butanoic acid. Following Lipinski's Rule of Five, 4-[2-(Methoxycarbonyl)anilino]butanoic acid has 2 hydrogen bond donor(s) and 5 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 4-[2-(Methoxycarbonyl)anilino]butanoic acid?
The CAS number of 4-[2-(Methoxycarbonyl)anilino]butanoic acid is 38113-75-6.
What is the molecular formula of 4-[2-(Methoxycarbonyl)anilino]butanoic acid?
The molecular formula of 4-[2-(Methoxycarbonyl)anilino]butanoic acid is C12H15NO4.
What is the molecular weight of 4-[2-(Methoxycarbonyl)anilino]butanoic acid?
The molecular weight of 4-[2-(Methoxycarbonyl)anilino]butanoic acid is 237.10 g/mol.
Where can I buy 4-[2-(Methoxycarbonyl)anilino]butanoic acid?
You can request a quote for 4-[2-(Methoxycarbonyl)anilino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(Methoxycarbonyl)anilino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(Methoxycarbonyl)anilino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.