![2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid structure](/static/products/850/850020-76-7.png)
2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid
TL;DR: 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid (CAS 850020-76-7) is a chemical compound with molecular formula C12H16O4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetic acid
Also Known As: 2-{[(4,5-dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid, [(4,5-dimethoxy-2-methylbenzyl)thio]acetic acid, 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetic acid, 2-([(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl)acetic acid, 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetic Acid
| Molecular Formula | C12H16O4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.33002 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.07693 |
| Heavy Atoms | 17 |
| Complexity | 403.73724 |
Chemical Identifiers
| CAS Number | 850020-76-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1CSCC(=O)O)OC)OC |
Product Overview
2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid (CAS 850020-76-7), with molecular formula C12H16O4S and molecular weight 256.08 g/mol. IUPAC: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid
Property Insights of 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid
The XLogP value of 2.33002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4,5-Dimethoxy-2-methylphenyl)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-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid?
The CAS number of 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid is 850020-76-7.
What is the molecular formula of 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid?
The molecular formula of 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid is C12H16O4S.
What is the molecular weight of 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid?
The molecular weight of 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid is 256.08 g/mol.
Where can I buy 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid?
You can request a quote for 2-{[(4,5-Dimethoxy-2-methylphenyl)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-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4,5-Dimethoxy-2-methylphenyl)methyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.