Boc-(4-aminophenylthio)acetic acid
TL;DR: Boc-(4-aminophenylthio)acetic acid (CAS 447414-44-0) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfanylacetic acid
Also Known As: Boc-(4-aminophenylthio)acetic acid, Boc-(4-aminophenylthio)aceticacid, 3828AE, 2-((4-((tert-Butoxycarbonyl)amino)phenyl)thio)acetic acid, J1.899.599I
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 3.2103 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 450.70618 |
Chemical Identifiers
| CAS Number | 447414-44-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)SCC(=O)O |
Product Overview
Boc-(4-aminophenylthio)acetic acid (CAS 447414-44-0), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfanylacetic acid.
Chemical Property Profile of Boc-(4-aminophenylthio)acetic acid
Property Insights of Boc-(4-aminophenylthio)acetic acid
The XLogP value of 3.2103 indicates that Boc-(4-aminophenylthio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-(4-aminophenylthio)acetic acid. Following Lipinski's Rule of Five, Boc-(4-aminophenylthio)acetic acid has 2 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 Boc-(4-aminophenylthio)acetic acid?
The CAS number of Boc-(4-aminophenylthio)acetic acid is 447414-44-0.
What is the molecular formula of Boc-(4-aminophenylthio)acetic acid?
The molecular formula of Boc-(4-aminophenylthio)acetic acid is C13H17NO4S.
What is the molecular weight of Boc-(4-aminophenylthio)acetic acid?
The molecular weight of Boc-(4-aminophenylthio)acetic acid is 283.09 g/mol.
Where can I buy Boc-(4-aminophenylthio)acetic acid?
You can request a quote for Boc-(4-aminophenylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-(4-aminophenylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Boc-(4-aminophenylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.