Methyl 2-amino-3-tritylsulfanyl-propanoate
TL;DR: Methyl 2-amino-3-tritylsulfanyl-propanoate (CAS 115545-85-2) is a chemical compound with molecular formula C23H23NO2S and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3-tritylsulfanylpropanoate
Also Known As: (S)-Methyl 2-amino-3-(tritylthio)propanoate, methyl 2-amino-3-tritylsulfanylpropanoate, methyl 2-amino-3-tritylsulfanyl-propanoate
| Molecular Formula | C23H23NO2S |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.14496 |
| Heavy Atoms | 27 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 115545-85-2 |
|---|---|
| SMILES | COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N |
| InChIKey | DXUZZMIANHJYIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-amino-3-tritylsulfanyl-propanoate (CAS 115545-85-2), with molecular formula C23H23NO2S and molecular weight 377.14 g/mol. IUPAC: methyl 2-amino-3-tritylsulfanylpropanoate.
Chemical Property Profile of Methyl 2-amino-3-tritylsulfanyl-propanoate
Property Insights of Methyl 2-amino-3-tritylsulfanyl-propanoate
The XLogP value of 4.6 indicates that Methyl 2-amino-3-tritylsulfanyl-propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-3-tritylsulfanyl-propanoate. Following Lipinski's Rule of Five, Methyl 2-amino-3-tritylsulfanyl-propanoate has 1 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 Methyl 2-amino-3-tritylsulfanyl-propanoate?
The CAS number of Methyl 2-amino-3-tritylsulfanyl-propanoate is 115545-85-2.
What is the molecular formula of Methyl 2-amino-3-tritylsulfanyl-propanoate?
The molecular formula of Methyl 2-amino-3-tritylsulfanyl-propanoate is C23H23NO2S.
What is the molecular weight of Methyl 2-amino-3-tritylsulfanyl-propanoate?
The molecular weight of Methyl 2-amino-3-tritylsulfanyl-propanoate is 377.14 g/mol.
Where can I buy Methyl 2-amino-3-tritylsulfanyl-propanoate?
You can request a quote for Methyl 2-amino-3-tritylsulfanyl-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-3-tritylsulfanyl-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-3-tritylsulfanyl-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.