![Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate structure](/static/products/921/92193-14-1.png)
Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate
TL;DR: Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate (CAS 92193-14-1) is a chemical compound with molecular formula C13H18O3S and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(2-hydroxyethylsulfanylmethyl)phenyl]propanoate
Also Known As: methyl3-[4- phenyl]propanoate, methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate, methyl 3-[4-(2-hydroxyethylsulfanylmethyl)phenyl]propanoate
| Molecular Formula | C13H18O3S |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 254.09767 |
| Heavy Atoms | 17 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 92193-14-1 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)CSCCO |
| InChIKey | JKBNHNOKOMWBFS-UHFFFAOYSA-N |
Product Overview
Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate (CAS 92193-14-1), with molecular formula C13H18O3S and molecular weight 254.10 g/mol. IUPAC: methyl 3-[4-(2-hydroxyethylsulfanylmethyl)phenyl]propanoate.
Chemical Property Profile of Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate
Property Insights of Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate 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 Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate?
The CAS number of Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate is 92193-14-1.
What is the molecular formula of Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate?
The molecular formula of Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate is C13H18O3S.
What is the molecular weight of Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate?
The molecular weight of Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate is 254.10 g/mol.
Where can I buy Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate?
You can request a quote for Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-{[(2-hydroxyethyl)sulfanyl]methyl}phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.