Hexyl(methyl)propanedioic acid
TL;DR: Hexyl(methyl)propanedioic acid (CAS 4360-86-5) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexyl-2-methylpropanedioic acid
Also Known As: Hexylmethylmalonicacid, Hexylmethylmalonic acid, Hexyl(methyl)propanedioic acid, 2-Hexyl-2-methylmalonic acid, 2,2-Octanedicarboxylic acid
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 4360-86-5 |
|---|---|
| SMILES | CCCCCCC(C)(C(=O)O)C(=O)O |
| InChIKey | AYICGNRTLKPWKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl(methyl)propanedioic acid (CAS 4360-86-5), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: 2-hexyl-2-methylpropanedioic acid.
Chemical Property Profile of Hexyl(methyl)propanedioic acid
Property Insights of Hexyl(methyl)propanedioic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl(methyl)propanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexyl(methyl)propanedioic acid. Following Lipinski's Rule of Five, Hexyl(methyl)propanedioic 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 Hexyl(methyl)propanedioic acid?
The CAS number of Hexyl(methyl)propanedioic acid is 4360-86-5.
What is the molecular formula of Hexyl(methyl)propanedioic acid?
The molecular formula of Hexyl(methyl)propanedioic acid is C10H18O4.
What is the molecular weight of Hexyl(methyl)propanedioic acid?
The molecular weight of Hexyl(methyl)propanedioic acid is 202.12 g/mol.
Where can I buy Hexyl(methyl)propanedioic acid?
You can request a quote for Hexyl(methyl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl(methyl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for Hexyl(methyl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.