![3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid structure](/static/products/4381/438198-03-9.webp)
3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid
TL;DR: 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid (CAS 438198-03-9) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid
Also Known As: 4-{2-[(4-tert-butylphenoxy)acetyl]hydrazino}-4-oxobutanoic acid, 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid, 4-(2-{2-[4-(tert-Butyl)phenoxy]acetyl}hydrazino)-4-oxobutanoic acid, 4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid, 4-(2-(2-(4-(tert-Butyl)phenoxy)acetyl)hydrazinyl)-4-oxobutanoic acid
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 1.3751 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 560.8285 |
Chemical Identifiers
| CAS Number | 438198-03-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC(=O)NNC(=O)CCC(=O)O |
Product Overview
3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid (CAS 438198-03-9), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: 4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid.
Chemical Property Profile of 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid
Property Insights of 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid
The XLogP value of 1.3751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid. Following Lipinski's Rule of Five, 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid has 3 hydrogen bond donor(s) and 4 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-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid?
The CAS number of 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid is 438198-03-9.
What is the molecular formula of 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid?
The molecular formula of 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid is C16H22N2O5.
What is the molecular weight of 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid?
The molecular weight of 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid is 322.15 g/mol.
Where can I buy 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid?
You can request a quote for 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}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-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-{2-[4-(tert-butyl)phenoxy]acetylamino}carbamoyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.