![2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid structure](/static/products/3361/336182-03-7.webp)
2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid
TL;DR: 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid (CAS 336182-03-7) is a chemical compound with molecular formula C16H23NO4S and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-Cys(Mbzl)-OH, Boc-D-Cys(pMeBzl)-OH, Boc-Cys(pMeBzl)-OH, Boc-L-Cys(pMeBzl)-OH, Boc-L-beta-HomoAsn-OH
| Molecular Formula | C16H23NO4S |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.13477 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 336182-03-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | CUNVVZWSABRKAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid (CAS 336182-03-7), with molecular formula C16H23NO4S and molecular weight 325.13 g/mol. IUPAC: 3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid
Property Insights of 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid
The XLogP value of 3.1 indicates that 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid. Following Lipinski's Rule of Five, 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid has 2 hydrogen bond donor(s) and 5 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 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid?
The CAS number of 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid is 336182-03-7.
What is the molecular formula of 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid?
The molecular formula of 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid is C16H23NO4S.
What is the molecular weight of 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid?
The molecular weight of 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid is 325.13 g/mol.
Where can I buy 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid?
You can request a quote for 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.