![3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid structure](/static/products/4544/454473-83-7.webp)
3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid
TL;DR: 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid (CAS 454473-83-7) is a chemical compound with molecular formula C15H21NO4S and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfanylphenyl)propanoic acid
Also Known As: Not Available, 3-[(tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid, 3-n-boc-3-(4-methylthiophenyl)propionic acid, 3-((Tert-butoxycarbonyl)amino)-3-(4-(methylthio)phenyl)propanoic acid, 3-{[(tert-butoxy)carbonyl]amino}-3-[4-(methylsulfanyl)phenyl]propanoic acid
| Molecular Formula | C15H21NO4S |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 3.449 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.11914 |
| Heavy Atoms | 21 |
| Complexity | 493.39023 |
Chemical Identifiers
| CAS Number | 454473-83-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)SC |
Product Overview
3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid (CAS 454473-83-7), with molecular formula C15H21NO4S and molecular weight 311.12 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfanylphenyl)propanoic acid.
Chemical Property Profile of 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid
Property Insights of 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid
The XLogP value of 3.449 indicates that 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic 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 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid. Following Lipinski's Rule of Five, 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic 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 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid?
The CAS number of 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid is 454473-83-7.
What is the molecular formula of 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid?
The molecular formula of 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid is C15H21NO4S.
What is the molecular weight of 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid?
The molecular weight of 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid is 311.12 g/mol.
Where can I buy 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid?
You can request a quote for 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]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-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.