![{4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid structure](/static/products/4045/404585-36-0.webp)
{4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid
TL;DR: {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid (CAS 404585-36-0) 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.
2-[4-(3-methylbutanoylamino)phenoxy]acetic acid
Also Known As: {4-[(3-methylbutanoyl)amino]phenoxy}acetic acid, 2-(4-(3-methylbutanamido)phenoxy)acetic acid, 2-[4-(3-methylbutanoylamino)phenoxy]acetic acid, Cambridge id 6505511
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.1346 |
| 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 | 411.50436 |
Chemical Identifiers
| CAS Number | 404585-36-0 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=CC=C(C=C1)OCC(=O)O |
Product Overview
{4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid (CAS 404585-36-0), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: 2-[4-(3-methylbutanoylamino)phenoxy]acetic acid.
Chemical Property Profile of {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid
Property Insights of {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid
The XLogP value of 2.1346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid. Following Lipinski's Rule of Five, {4-[(3-Methylbutanoyl)amino]phenoxy}acetic 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 {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid?
The CAS number of {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid is 404585-36-0.
What is the molecular formula of {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid?
The molecular formula of {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid is C13H17NO4.
What is the molecular weight of {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid?
The molecular weight of {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid is 251.12 g/mol.
Where can I buy {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid?
You can request a quote for {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {4-[(3-Methylbutanoyl)amino]phenoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.