2,2-Dimethyl-3-phenylpentanedioic acid
TL;DR: 2,2-Dimethyl-3-phenylpentanedioic acid (CAS 100613-01-2) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3-phenylpentanedioic acid
Also Known As: 2,2-dimethyl-3-phenylpentanedioic acid, 2,2-dimethyl-3-phenyl-pentanedioic Acid, 2,2-dimethyl-3-phenylpentanedioic acid (en)Glutaric acid, 2,
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.3557 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 408.68747 |
Chemical Identifiers
| CAS Number | 100613-01-2 |
|---|---|
| SMILES | CC(C)(C(CC(=O)O)C1=CC=CC=C1)C(=O)O |
Product Overview
2,2-Dimethyl-3-phenylpentanedioic acid (CAS 100613-01-2), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2,2-dimethyl-3-phenylpentanedioic acid.
Chemical Property Profile of 2,2-Dimethyl-3-phenylpentanedioic acid
Property Insights of 2,2-Dimethyl-3-phenylpentanedioic acid
The XLogP value of 2.3557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-3-phenylpentanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-3-phenylpentanedioic acid. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-phenylpentanedioic acid has 2 hydrogen bond donor(s) and 2 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 2,2-Dimethyl-3-phenylpentanedioic acid?
The CAS number of 2,2-Dimethyl-3-phenylpentanedioic acid is 100613-01-2.
What is the molecular formula of 2,2-Dimethyl-3-phenylpentanedioic acid?
The molecular formula of 2,2-Dimethyl-3-phenylpentanedioic acid is C13H16O4.
What is the molecular weight of 2,2-Dimethyl-3-phenylpentanedioic acid?
The molecular weight of 2,2-Dimethyl-3-phenylpentanedioic acid is 236.10 g/mol.
Where can I buy 2,2-Dimethyl-3-phenylpentanedioic acid?
You can request a quote for 2,2-Dimethyl-3-phenylpentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3-phenylpentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-phenylpentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.