1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester
TL;DR: 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester (CAS 1733-16-0) is a chemical compound with molecular formula C9H14O6 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl propane-1,1,3-tricarboxylate
Also Known As: trimethyl propane-1,1,3-tricarboxylate, 1,1,3-Propanetricarboxylic acid, trimethyl ester, Trimethyl propane-1,2,3-tricarboxylate, 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester, 1,1,3-TRIMETHYL PROPANE-1,1,3-TRICARBOXYLATE
| Molecular Formula | C9H14O6 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.07904 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 1733-16-0 |
|---|---|
| SMILES | COC(=O)CCC(C(=O)OC)C(=O)OC |
| InChIKey | NTXSDWDNMMMUIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester (CAS 1733-16-0), with molecular formula C9H14O6 and molecular weight 218.08 g/mol. IUPAC: trimethyl propane-1,1,3-tricarboxylate.
Chemical Property Profile of 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester
Property Insights of 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester. Following Lipinski's Rule of Five, 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester has 0 hydrogen bond donor(s) and 6 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 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester?
The CAS number of 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester is 1733-16-0.
What is the molecular formula of 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester?
The molecular formula of 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester is C9H14O6.
What is the molecular weight of 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester?
The molecular weight of 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester is 218.08 g/mol.
Where can I buy 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester?
You can request a quote for 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.