Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate
TL;DR: Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate (CAS 959236-56-7) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(hydroxymethyl)thiophene-3-carboxylate
Also Known As: methyl 4-(hydroxymethyl)thiophene-3-carboxylate, Methyl 4-hydroxymethyl-3-thiophenecarboxylate, 3-Thiophenecarboxylic acid, 4-(hydroxymethyl)-, methyl ester, Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate, 831-598-9
| Molecular Formula | C7H8O3S |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.01941 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 959236-56-7 |
|---|---|
| SMILES | COC(=O)C1=CSC=C1CO |
| InChIKey | GMFPPVRGDDNSAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate (CAS 959236-56-7), with molecular formula C7H8O3S and molecular weight 172.02 g/mol. IUPAC: methyl 4-(hydroxymethyl)thiophene-3-carboxylate.
Chemical Property Profile of Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate
Property Insights of Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate 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 4-(hydroxymethyl)-3-thiophenecarboxylate?
The CAS number of Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate is 959236-56-7.
What is the molecular formula of Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate?
The molecular formula of Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate is C7H8O3S.
What is the molecular weight of Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate?
The molecular weight of Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate is 172.02 g/mol.
Where can I buy Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate?
You can request a quote for Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(hydroxymethyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.