![{[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid structure](/static/products/910/91062-05-4.png)
{[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid
TL;DR: {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid (CAS 91062-05-4) is a chemical compound with molecular formula C10H12O4S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxy-3-methoxyphenyl)methylsulfanyl]acetic acid
Also Known As: {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid, 2-[(4-hydroxy-3-methoxyphenyl)methylsulfanyl]acetic acid
| Molecular Formula | C10H12O4S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.04562 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 91062-05-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CSCC(=O)O)O |
| InChIKey | WDJGNQPPSDPTNE-UHFFFAOYSA-N |
Product Overview
{[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid (CAS 91062-05-4), with molecular formula C10H12O4S and molecular weight 228.05 g/mol. IUPAC: 2-[(4-hydroxy-3-methoxyphenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid
Property Insights of {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid has 2 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 {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid?
The CAS number of {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid is 91062-05-4.
What is the molecular formula of {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid?
The molecular formula of {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid is C10H12O4S.
What is the molecular weight of {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid?
The molecular weight of {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid is 228.05 g/mol.
Where can I buy {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid?
You can request a quote for {[(4-Hydroxy-3-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 {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[(4-Hydroxy-3-methoxyphenyl)methyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.