(+-)-3-Methyladipic acid
TL;DR: (+-)-3-Methyladipic acid (CAS 3058-01-3) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhexanedioic acid
Also Known As: 3-METHYLADIPIC ACID, 3-METHYLHEXANEDIOIC ACID, Hexanedioic acid, 3-methyl-, menth-1-ene, 3-Methyladipicacid
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 3058-01-3 |
|---|---|
| SMILES | CC(CCC(=O)O)CC(=O)O |
| InChIKey | SYEOWUNSTUDKGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+-)-3-Methyladipic acid (CAS 3058-01-3), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 3-methylhexanedioic acid.
Chemical Property Profile of (+-)-3-Methyladipic acid
Property Insights of (+-)-3-Methyladipic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+-)-3-Methyladipic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (+-)-3-Methyladipic acid. Following Lipinski's Rule of Five, (+-)-3-Methyladipic 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 (+-)-3-Methyladipic acid?
The CAS number of (+-)-3-Methyladipic acid is 3058-01-3.
What is the molecular formula of (+-)-3-Methyladipic acid?
The molecular formula of (+-)-3-Methyladipic acid is C7H12O4.
What is the molecular weight of (+-)-3-Methyladipic acid?
The molecular weight of (+-)-3-Methyladipic acid is 160.07 g/mol.
Where can I buy (+-)-3-Methyladipic acid?
You can request a quote for (+-)-3-Methyladipic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-3-Methyladipic acid?
Yes, KEHONG BIO provides custom synthesis services for (+-)-3-Methyladipic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.