N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide
TL;DR: N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide (CAS 515125-84-5) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide
Also Known As: N-(1,1-dioxo-1, N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide, VU0495195-1, N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylpropanamide
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 0.9225 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 510.2977 |
Chemical Identifiers
| CAS Number | 515125-84-5 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)CCC2=CC=CC=C2 |
Product Overview
N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide (CAS 515125-84-5), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide.
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide
Property Insights of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide
The XLogP value of 0.9225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide has 1 hydrogen bond donor(s) and 3 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 N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide?
The CAS number of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide is 515125-84-5.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide?
The molecular formula of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide is C13H17NO3S.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide?
The molecular weight of N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide is 267.09 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide?
You can request a quote for N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.