N-(2-isobutoxybenzoyl)-beta-alanine
TL;DR: N-(2-isobutoxybenzoyl)-beta-alanine (CAS 339345-96-9) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid
Also Known As: N-(2-isobutoxybenzoyl)-beta-alanine, 3-(2-isobutoxybenzamido)propanoic acid, 3-[[2-(2-methylpropoxy)benzoyl]amino]propanoic Acid, N-{[2-(2-methylpropoxy)phenyl]carbonyl}-beta-alanine
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 1.9259 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 442.82703 |
Chemical Identifiers
| CAS Number | 339345-96-9 |
|---|---|
| SMILES | CC(C)COC1=CC=CC=C1C(=O)NCCC(=O)O |
Product Overview
N-(2-isobutoxybenzoyl)-beta-alanine (CAS 339345-96-9), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: 3-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid.
Chemical Property Profile of N-(2-isobutoxybenzoyl)-beta-alanine
Property Insights of N-(2-isobutoxybenzoyl)-beta-alanine
The XLogP value of 1.9259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-isobutoxybenzoyl)-beta-alanine. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-isobutoxybenzoyl)-beta-alanine. Following Lipinski's Rule of Five, N-(2-isobutoxybenzoyl)-beta-alanine 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 N-(2-isobutoxybenzoyl)-beta-alanine?
The CAS number of N-(2-isobutoxybenzoyl)-beta-alanine is 339345-96-9.
What is the molecular formula of N-(2-isobutoxybenzoyl)-beta-alanine?
The molecular formula of N-(2-isobutoxybenzoyl)-beta-alanine is C14H19NO4.
What is the molecular weight of N-(2-isobutoxybenzoyl)-beta-alanine?
The molecular weight of N-(2-isobutoxybenzoyl)-beta-alanine is 265.13 g/mol.
Where can I buy N-(2-isobutoxybenzoyl)-beta-alanine?
You can request a quote for N-(2-isobutoxybenzoyl)-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-isobutoxybenzoyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-isobutoxybenzoyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.