S-cinnamoyl-alpha-mercapto-beta-phenylpropionate
TL;DR: S-cinnamoyl-alpha-mercapto-beta-phenylpropionate (CAS 54845-97-5) is a chemical compound with molecular formula C18H16O3S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-phenyl-2-[(E)-3-phenylprop-2-enoyl]sulfanylpropanoic acid
Also Known As: S-Cinnamoyl-alpha-mercapto-beta-phenylpropionate, Cid 6443550, S-(trans-Cinnamoyl)-alpha-mercapto-beta-phenylpropionate, (2R)-3-phenyl-2-[(E)-3-phenylprop-2-enoyl]sulfanylpropanoic acid, Benzenepropanoic acid, alpha-((1-oxo-3-phenyl-2-propenyl)thio)-, (R-(E))-
| Molecular Formula | C18H16O3S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 3.6555 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.082 |
| Heavy Atoms | 22 |
| Complexity | 650.5472 |
Chemical Identifiers
| CAS Number | 54845-97-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@H](C(=O)O)SC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
S-cinnamoyl-alpha-mercapto-beta-phenylpropionate (CAS 54845-97-5), with molecular formula C18H16O3S and molecular weight 312.08 g/mol. IUPAC: (2R)-3-phenyl-2-[(E)-3-phenylprop-2-enoyl]sulfanylpropanoic acid.
Chemical Property Profile of S-cinnamoyl-alpha-mercapto-beta-phenylpropionate
Property Insights of S-cinnamoyl-alpha-mercapto-beta-phenylpropionate
The XLogP value of 3.6555 indicates that S-cinnamoyl-alpha-mercapto-beta-phenylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, S-cinnamoyl-alpha-mercapto-beta-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-cinnamoyl-alpha-mercapto-beta-phenylpropionate 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 S-cinnamoyl-alpha-mercapto-beta-phenylpropionate?
The CAS number of S-cinnamoyl-alpha-mercapto-beta-phenylpropionate is 54845-97-5.
What is the molecular formula of S-cinnamoyl-alpha-mercapto-beta-phenylpropionate?
The molecular formula of S-cinnamoyl-alpha-mercapto-beta-phenylpropionate is C18H16O3S.
What is the molecular weight of S-cinnamoyl-alpha-mercapto-beta-phenylpropionate?
The molecular weight of S-cinnamoyl-alpha-mercapto-beta-phenylpropionate is 312.08 g/mol.
Where can I buy S-cinnamoyl-alpha-mercapto-beta-phenylpropionate?
You can request a quote for S-cinnamoyl-alpha-mercapto-beta-phenylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-cinnamoyl-alpha-mercapto-beta-phenylpropionate?
Yes, KEHONG BIO provides custom synthesis services for S-cinnamoyl-alpha-mercapto-beta-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.