![2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid structure](/static/products/795/795290-98-1.png)
2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid
TL;DR: 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid (CAS 795290-98-1) is a chemical compound with molecular formula C12H14O4S and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetic acid
Also Known As: 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid, [(5-acetyl-2-methoxybenzyl)thio]acetic acid, 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetic acid, 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetic Acid, 2-[[(5-Acetyl-2-methoxyphenyl)methyl]thio]acetic acid
| Molecular Formula | C12H14O4S |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 2.2156 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.06128 |
| Heavy Atoms | 17 |
| Complexity | 428.51385 |
Chemical Identifiers
| CAS Number | 795290-98-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)O |
Product Overview
2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid (CAS 795290-98-1), with molecular formula C12H14O4S and molecular weight 254.06 g/mol. IUPAC: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid
Property Insights of 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid
The XLogP value of 2.2156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid has 1 hydrogen bond donor(s) and 4 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 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid?
The CAS number of 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid is 795290-98-1.
What is the molecular formula of 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid?
The molecular formula of 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid is C12H14O4S.
What is the molecular weight of 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid?
The molecular weight of 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid is 254.06 g/mol.
Where can I buy 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid?
You can request a quote for 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.