n-Heptylmalonic acid
TL;DR: n-Heptylmalonic acid (CAS 760-54-3) 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-heptylpropanedioic acid
Also Known As: n-Heptylmalonic acid, 2-Heptyl-malonic acid, heptylmalonic acid, 2-heptylpropanedioic acid, 2-heptylmalonic acid
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 760-54-3 |
|---|---|
| SMILES | CCCCCCCC(C(=O)O)C(=O)O |
| InChIKey | YSFZWUJOBANROZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Heptylmalonic acid (CAS 760-54-3), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: 2-heptylpropanedioic acid.
Chemical Property Profile of n-Heptylmalonic acid
Property Insights of n-Heptylmalonic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Heptylmalonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Heptylmalonic acid. Following Lipinski's Rule of Five, n-Heptylmalonic 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 n-Heptylmalonic acid?
The CAS number of n-Heptylmalonic acid is 760-54-3.
What is the molecular formula of n-Heptylmalonic acid?
The molecular formula of n-Heptylmalonic acid is C10H18O4.
What is the molecular weight of n-Heptylmalonic acid?
The molecular weight of n-Heptylmalonic acid is 202.12 g/mol.
Where can I buy n-Heptylmalonic acid?
You can request a quote for n-Heptylmalonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Heptylmalonic acid?
Yes, KEHONG BIO provides custom synthesis services for n-Heptylmalonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.