![2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid structure](/static/products/887/887585-79-7.png)
2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid
TL;DR: 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid (CAS 887585-79-7) is a chemical compound with molecular formula C13H18O4S and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethoxyphenyl)sulfanyl-3-methylbutanoic acid
Also Known As: 2-[(3,5-dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid, 2-(3,5-dimethoxyphenyl)sulfanyl-3-methylbutanoic acid, 2-[(3,5-Dimethoxyphenyl)thio]-3-methylbutanoic acid, AP-836/41220379, 2-((3,5-Dimethoxyphenyl)thio)-3-methylbutanoic acid
| Molecular Formula | C13H18O4S |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.9051 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.0926 |
| Heavy Atoms | 18 |
| Complexity | 395.2023 |
Chemical Identifiers
| CAS Number | 887585-79-7 |
|---|---|
| SMILES | CC(C)C(C(=O)O)SC1=CC(=CC(=C1)OC)OC |
Product Overview
2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid (CAS 887585-79-7), with molecular formula C13H18O4S and molecular weight 270.09 g/mol. IUPAC: 2-(3,5-dimethoxyphenyl)sulfanyl-3-methylbutanoic acid.
Chemical Property Profile of 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid
Property Insights of 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid
The XLogP value of 2.9051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic 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-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid?
The CAS number of 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid is 887585-79-7.
What is the molecular formula of 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid?
The molecular formula of 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid is C13H18O4S.
What is the molecular weight of 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid?
The molecular weight of 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid is 270.09 g/mol.
Where can I buy 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid?
You can request a quote for 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.