n-Pentylmalonic acid
TL;DR: n-Pentylmalonic acid (CAS 616-88-6) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentylpropanedioic acid
Also Known As: n-Pentylmalonic acid, 2-pentylpropanedioic acid, n-Pentylmalonate, 2-Pentylmalonic acid, hexandicarbonsaure
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 616-88-6 |
|---|---|
| SMILES | CCCCCC(C(=O)O)C(=O)O |
| InChIKey | LAWHHRXCBUNWFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Pentylmalonic acid (CAS 616-88-6), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2-pentylpropanedioic acid.
Chemical Property Profile of n-Pentylmalonic acid
Property Insights of n-Pentylmalonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Pentylmalonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Pentylmalonic acid. Following Lipinski's Rule of Five, n-Pentylmalonic 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-Pentylmalonic acid?
The CAS number of n-Pentylmalonic acid is 616-88-6.
What is the molecular formula of n-Pentylmalonic acid?
The molecular formula of n-Pentylmalonic acid is C8H14O4.
What is the molecular weight of n-Pentylmalonic acid?
The molecular weight of n-Pentylmalonic acid is 174.09 g/mol.
Where can I buy n-Pentylmalonic acid?
You can request a quote for n-Pentylmalonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Pentylmalonic acid?
Yes, KEHONG BIO provides custom synthesis services for n-Pentylmalonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.