4,4-Dimethylheptanedioic acid
TL;DR: 4,4-Dimethylheptanedioic acid (CAS 57576-41-7) 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.
4,4-dimethylheptanedioic acid
Also Known As: 4,4-Dimethylheptanedioic acid, Dimethylpimelinsaure, Heptanedioic acid, 4,4-dimethyl-, 4,4-Dimethylpimelic acid, 4,4-Dimethyl-heptandisaeure
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 57576-41-7 |
|---|---|
| SMILES | CC(C)(CCC(=O)O)CCC(=O)O |
| InChIKey | YDUOHBXBLZGANF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethylheptanedioic acid (CAS 57576-41-7), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 4,4-dimethylheptanedioic acid.
Chemical Property Profile of 4,4-Dimethylheptanedioic acid
Property Insights of 4,4-Dimethylheptanedioic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethylheptanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethylheptanedioic acid. Following Lipinski's Rule of Five, 4,4-Dimethylheptanedioic acid has 2 hydrogen bond donor(s) and 4 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 4,4-Dimethylheptanedioic acid?
The CAS number of 4,4-Dimethylheptanedioic acid is 57576-41-7.
What is the molecular formula of 4,4-Dimethylheptanedioic acid?
The molecular formula of 4,4-Dimethylheptanedioic acid is C9H16O4.
What is the molecular weight of 4,4-Dimethylheptanedioic acid?
The molecular weight of 4,4-Dimethylheptanedioic acid is 188.10 g/mol.
Where can I buy 4,4-Dimethylheptanedioic acid?
You can request a quote for 4,4-Dimethylheptanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethylheptanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethylheptanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.