1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-
TL;DR: 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)- (CAS 40946-46-1) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-propan-2-ylbenzene-1,3-dicarboxylic acid
Also Known As: Propofol Impurity 27, Propofol Impurity 34, 4-hydroxy-5-isopropylisophthalic acid, 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-, 4-hydroxy-5-propan-2-ylbenzene-1,3-dicarboxylic acid
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.912 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 447.9333 |
Chemical Identifiers
| CAS Number | 40946-46-1 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC(=C1)C(=O)O)C(=O)O)O |
Product Overview
1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)- (CAS 40946-46-1), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 4-hydroxy-5-propan-2-ylbenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-
Property Insights of 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-
The XLogP value of 1.912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)- has 3 hydrogen bond donor(s) and 3 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 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-?
The CAS number of 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)- is 40946-46-1.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-?
The molecular formula of 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)- is C11H12O5.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-?
The molecular weight of 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)- is 224.07 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-?
You can request a quote for 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 4-hydroxy-5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.