![beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]- structure](/static/products/446/446828-71-3.png)
beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-
TL;DR: beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]- (CAS 446828-71-3) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propanoic acid
Also Known As: beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-, N-[(3,4-Dimethylphenoxy)acetyl]-beta-alanine, 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propanoic Acid, I(2)-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 1.27314 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 442.61743 |
Chemical Identifiers
| CAS Number | 446828-71-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)NCCC(=O)O)C |
Product Overview
beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]- (CAS 446828-71-3), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-
Property Insights of beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-
The XLogP value of 1.27314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-. Following Lipinski's Rule of Five, beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]- 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 beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-?
The CAS number of beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]- is 446828-71-3.
What is the molecular formula of beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-?
The molecular formula of beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]- is C13H17NO4.
What is the molecular weight of beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-?
The molecular weight of beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]- is 251.12 g/mol.
Where can I buy beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-?
You can request a quote for beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-[(3,4-dimethylphenoxy)acetyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.