1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate
TL;DR: 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate (CAS 68186-81-2) is a chemical compound with molecular formula C12H13O10P and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phosphonooxypropoxycarbonyl)terephthalic acid
Also Known As: 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate, 2-(2-phosphonooxypropoxycarbonyl)terephthalic acid, 2-{[2-(phosphonooxy)propoxy]carbonyl}benzene-1,4-dicarboxylic acid, 269-046-9, EINECS 269-046-9
| Molecular Formula | C12H13O10P |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.02463 |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 68186-81-2 |
|---|---|
| SMILES | CC(COC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O)OP(=O)(O)O |
| InChIKey | FBTTZVYMEQZAST-UHFFFAOYSA-N |
Product Overview
1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate (CAS 68186-81-2), with molecular formula C12H13O10P and molecular weight 348.02 g/mol. IUPAC: 2-(2-phosphonooxypropoxycarbonyl)terephthalic acid.
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate
Property Insights of 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate
The XLogP value of -0.5 indicates that 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate has 4 hydrogen bond donor(s) and 10 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 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate?
The CAS number of 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate is 68186-81-2.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate is C12H13O10P.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate is 348.02 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, ester with 1,2-propanediol phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.