![Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester structure](/static/products/102/10280-02-1.png)
Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester
TL;DR: Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester (CAS 10280-02-1) is a chemical compound with molecular formula C26H28O2S and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-tritylsulfanylpropanoate
Also Known As: tert-butyl 3-(tritylsulfanyl)propanoate, tert-Butyl 3-(tritylthio)propanoate, tert-butyl 3-tritylsulfanylpropanoate, tert.-Butyl-2-triphenylmethyl-carbazat, Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester
| Molecular Formula | C26H28O2S |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.181 |
| Heavy Atoms | 29 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 10280-02-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | ZDBVFOQVCOQLKQ-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester (CAS 10280-02-1), with molecular formula C26H28O2S and molecular weight 404.18 g/mol. IUPAC: tert-butyl 3-tritylsulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester
Property Insights of Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester
The XLogP value of 6.4 indicates that Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester?
The CAS number of Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester is 10280-02-1.
What is the molecular formula of Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester?
The molecular formula of Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester is C26H28O2S.
What is the molecular weight of Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester?
The molecular weight of Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester is 404.18 g/mol.
Where can I buy Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester?
You can request a quote for Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.