2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid
TL;DR: 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid (CAS 100610-68-2) 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-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoic acid
Also Known As: 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid, 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoic acid, 0235AA, 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoic acid, dioxolambdathiazinanylphenylpropanoicacid
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 0.4127 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 527.0215 |
Chemical Identifiers
| CAS Number | 100610-68-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CCN1C(CC2=CC=CC=C2)C(=O)O |
Product Overview
2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid (CAS 100610-68-2), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoic acid.
Chemical Property Profile of 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid
Property Insights of 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid
The XLogP value of 0.4127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid 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 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid?
The CAS number of 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid is 100610-68-2.
What is the molecular formula of 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid?
The molecular formula of 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid is C13H17NO4S.
What is the molecular weight of 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid?
The molecular weight of 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid is 283.09 g/mol.
Where can I buy 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid?
You can request a quote for 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.