![3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid structure](/static/products/500/500200-91-9.png)
3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid
TL;DR: 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid (CAS 500200-91-9) is a chemical compound with molecular formula C13H16O4S and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]propanoic acid
Also Known As: 3-((5-acetyl-2-methoxybenzyl)thio)propanoic acid, 3-[(5-acetyl-2-methoxybenzyl)sulfanyl]propanoic acid, 3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]propanoic acid
| Molecular Formula | C13H16O4S |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 268.07693 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 500200-91-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSCCC(=O)O |
| InChIKey | FCXJUMVAVIWORZ-UHFFFAOYSA-N |
Product Overview
3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid (CAS 500200-91-9), with molecular formula C13H16O4S and molecular weight 268.08 g/mol. IUPAC: 3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]propanoic acid.
Chemical Property Profile of 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid
Property Insights of 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid. Following Lipinski's Rule of Five, 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid has 1 hydrogen bond donor(s) and 5 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 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid?
The CAS number of 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid is 500200-91-9.
What is the molecular formula of 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid?
The molecular formula of 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid is C13H16O4S.
What is the molecular weight of 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid?
The molecular weight of 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid is 268.08 g/mol.
Where can I buy 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid?
You can request a quote for 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Acetyl-2-methoxybenzyl)sulfanyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.