Propanoic acid,3-[(2-phenylethenyl)thio]-
TL;DR: Propanoic acid,3-[(2-phenylethenyl)thio]- (CAS 175205-21-7) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethenylsulfanyl)propanoic acid
Also Known As: Maybridge1_007526, 3-(Styrylthio)propanoic acid, 3-{[2-Phenylvinyl]thio}propanoic acid, 3-(2-phenylethenylsulfanyl)propanoic acid, Propanoic acid,3-[(2-phenylethenyl)thio]-
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 2.8652 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 306.3234 |
Chemical Identifiers
| CAS Number | 175205-21-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CSCCC(=O)O |
Product Overview
Propanoic acid,3-[(2-phenylethenyl)thio]- (CAS 175205-21-7), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: 3-(2-phenylethenylsulfanyl)propanoic acid.
Chemical Property Profile of Propanoic acid,3-[(2-phenylethenyl)thio]-
Property Insights of Propanoic acid,3-[(2-phenylethenyl)thio]-
The XLogP value of 2.8652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid,3-[(2-phenylethenyl)thio]-. With a topological polar surface area (TPSA) of 37.3 Ų, Propanoic acid,3-[(2-phenylethenyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid,3-[(2-phenylethenyl)thio]- has 1 hydrogen bond donor(s) and 2 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 Propanoic acid,3-[(2-phenylethenyl)thio]-?
The CAS number of Propanoic acid,3-[(2-phenylethenyl)thio]- is 175205-21-7.
What is the molecular formula of Propanoic acid,3-[(2-phenylethenyl)thio]-?
The molecular formula of Propanoic acid,3-[(2-phenylethenyl)thio]- is C11H12O2S.
What is the molecular weight of Propanoic acid,3-[(2-phenylethenyl)thio]-?
The molecular weight of Propanoic acid,3-[(2-phenylethenyl)thio]- is 208.06 g/mol.
Where can I buy Propanoic acid,3-[(2-phenylethenyl)thio]-?
You can request a quote for Propanoic acid,3-[(2-phenylethenyl)thio]- 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-[(2-phenylethenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid,3-[(2-phenylethenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.