Pentanedioic acid, 3-(1,1-dimethylethyl)-
TL;DR: Pentanedioic acid, 3-(1,1-dimethylethyl)- (CAS 50635-63-7) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylpentanedioic acid
Also Known As: 3-tert-butylpentanedioic Acid, 3-isobutylglutaric acid, 3-tert-butylglutaric acid, Pentanedioic acid, 3-(1,1-dimethylethyl)-, 3-(1,1-Dimethylethyl)pentanedioic acid
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.5981 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 186.15047 |
Chemical Identifiers
| CAS Number | 50635-63-7 |
|---|---|
| SMILES | CC(C)(C)C(CC(=O)O)CC(=O)O |
Product Overview
Pentanedioic acid, 3-(1,1-dimethylethyl)- (CAS 50635-63-7), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 3-tert-butylpentanedioic acid.
Chemical Property Profile of Pentanedioic acid, 3-(1,1-dimethylethyl)-
Property Insights of Pentanedioic acid, 3-(1,1-dimethylethyl)-
The XLogP value of 1.5981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanedioic acid, 3-(1,1-dimethylethyl)-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanedioic acid, 3-(1,1-dimethylethyl)-. Following Lipinski's Rule of Five, Pentanedioic acid, 3-(1,1-dimethylethyl)- 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 Pentanedioic acid, 3-(1,1-dimethylethyl)-?
The CAS number of Pentanedioic acid, 3-(1,1-dimethylethyl)- is 50635-63-7.
What is the molecular formula of Pentanedioic acid, 3-(1,1-dimethylethyl)-?
The molecular formula of Pentanedioic acid, 3-(1,1-dimethylethyl)- is C9H16O4.
What is the molecular weight of Pentanedioic acid, 3-(1,1-dimethylethyl)-?
The molecular weight of Pentanedioic acid, 3-(1,1-dimethylethyl)- is 188.10 g/mol.
Where can I buy Pentanedioic acid, 3-(1,1-dimethylethyl)-?
You can request a quote for Pentanedioic acid, 3-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedioic acid, 3-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 3-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.