柠檬酸三甲酯
TL;DR: 柠檬酸三甲酯 (CAS 1587-20-8) is a chemical compound with molecular formula C9H14O7 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠檬酸三甲酯
trimethyl 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Trimethyl citrate, trimethyl 2-hydroxypropane-1,2,3-tricarboxylate, methyl citrate, Citric acid, trimethyl ester, TRIMETHYLCITRATE
| Molecular Formula | C9H14O7 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.07396 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 1587-20-8 |
|---|---|
| SMILES | COC(=O)CC(CC(=O)OC)(C(=O)OC)O |
| InChIKey | HDDLVZWGOPWKFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
柠檬酸三甲酯 (CAS 1587-20-8), with molecular formula C9H14O7 and molecular weight 234.07 g/mol. IUPAC: trimethyl 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of 柠檬酸三甲酯
Property Insights of 柠檬酸三甲酯
The XLogP value of -1.0 indicates that 柠檬酸三甲酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 柠檬酸三甲酯. Following Lipinski's Rule of Five, 柠檬酸三甲酯 has 1 hydrogen bond donor(s) and 7 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 柠檬酸三甲酯?
The CAS number of 柠檬酸三甲酯 is 1587-20-8.
What is the molecular formula of 柠檬酸三甲酯?
The molecular formula of 柠檬酸三甲酯 is C9H14O7.
What is the molecular weight of 柠檬酸三甲酯?
The molecular weight of 柠檬酸三甲酯 is 234.07 g/mol.
Where can I buy 柠檬酸三甲酯?
You can request a quote for 柠檬酸三甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠檬酸三甲酯?
Yes, KEHONG BIO provides custom synthesis services for 柠檬酸三甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.