(E)-5-phenyl-2-sulfanylidenepent-4-enoic acid
TL;DR: (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid (CAS 99846-01-2) is a chemical compound with molecular formula C11H10O2S and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5-phenyl-2-sulfanylidenepent-4-enoic acid
Also Known As: 5-Phenyl-2-thioxo-4-pentenoicacid, 5-Phenyl-2-thioxo-4-pentenoic acid, 5-phenyl-2-sulfanylidenepent-4-enoic acid, (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid, (E)-5-phenyl-2-sulfanylidene-pent-4-enoic Acid
| Molecular Formula | C11H10O2S |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 2.5444 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.04015 |
| Heavy Atoms | 14 |
| Complexity | 354.8101 |
Chemical Identifiers
| CAS Number | 99846-01-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CC(=S)C(=O)O |
Product Overview
(E)-5-phenyl-2-sulfanylidenepent-4-enoic acid (CAS 99846-01-2), with molecular formula C11H10O2S and molecular weight 206.04 g/mol. IUPAC: (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid.
Chemical Property Profile of (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid
Property Insights of (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid
The XLogP value of 2.5444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid 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 (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid?
The CAS number of (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid is 99846-01-2.
What is the molecular formula of (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid?
The molecular formula of (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid is C11H10O2S.
What is the molecular weight of (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid?
The molecular weight of (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid is 206.04 g/mol.
Where can I buy (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid?
You can request a quote for (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-phenyl-2-sulfanylidenepent-4-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.