1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
TL;DR: 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol (CAS 15015-84-6) is a chemical compound with molecular formula C13H18O8 and molecular weight 302.10016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-bis(hydroxymethyl)propane-1,3-diol;phthalic acid
Also Known As: 2,2-bis(hydroxymethyl)propane-1,3-diol; phthalic acid, 2,2-bis(hydroxymethyl)propane-1,3-diol,phthalic acid, 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol, benzene-1,2-dicarboxylic acid- 2,2-bis(hydroxymethyl)propane-1,3-diol(1:1), 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]carbonylbenzoic acid
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18O8 |
| Molecular Weight | 302.10016 g/mol |
| XLogP | -0.98 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.10016 Da |
| Heavy Atoms | 21 |
| Complexity | 229.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)C(=O)O.C(C(CO)(CO)CO)O |
| InChIKey | BFRLRGJQKQUFHK-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
Property Insights of 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
The XLogP value of -0.98 indicates that 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
The CAS number of 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is 15015-84-6.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
The molecular formula of 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is C13H18O8.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
The molecular weight of 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol is 302.10016 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
You can request a quote for 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol?
Yes, CoreyChem provides custom synthesis services for 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.