N-Boc-3-aminophenylacetic Acid
TL;DR: N-Boc-3-aminophenylacetic Acid (CAS 123039-35-0) 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-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
Also Known As: N-Boc-3-aminophenylacetic Acid, null, boc-3-aminophenylacetic acid, 3-(Boc-amino)phenylacetic acid, N-Boc-3-aminophenylaceticAcid
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.6607 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 448.54962 |
Chemical Identifiers
| CAS Number | 123039-35-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=CC(=C1)CC(=O)O |
Product Overview
N-Boc-3-aminophenylacetic Acid (CAS 123039-35-0), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid.
Chemical Property Profile of N-Boc-3-aminophenylacetic Acid
Property Insights of N-Boc-3-aminophenylacetic Acid
The XLogP value of 2.6607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Boc-3-aminophenylacetic Acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Boc-3-aminophenylacetic Acid. Following Lipinski's Rule of Five, N-Boc-3-aminophenylacetic 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 N-Boc-3-aminophenylacetic Acid?
The CAS number of N-Boc-3-aminophenylacetic Acid is 123039-35-0.
What is the molecular formula of N-Boc-3-aminophenylacetic Acid?
The molecular formula of N-Boc-3-aminophenylacetic Acid is C13H17NO4.
What is the molecular weight of N-Boc-3-aminophenylacetic Acid?
The molecular weight of N-Boc-3-aminophenylacetic Acid is 251.12 g/mol.
Where can I buy N-Boc-3-aminophenylacetic Acid?
You can request a quote for N-Boc-3-aminophenylacetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-3-aminophenylacetic Acid?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-3-aminophenylacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.