2-辛基丙二酸
TL;DR: 2-辛基丙二酸 (CAS 760-55-4) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-辛基丙二酸
2-octylpropanedioic acid
Also Known As: n-Octylmalonic acid, 2-octylpropanedioic acid, 2-octylmalonic acid, Unknown Ligand, nonanedicarboxylic
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 760-55-4 |
|---|---|
| SMILES | CCCCCCCCC(C(=O)O)C(=O)O |
| InChIKey | QJGNSTCICFBACB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-辛基丙二酸 (CAS 760-55-4), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: 2-octylpropanedioic acid.
Chemical Property Profile of 2-辛基丙二酸
Property Insights of 2-辛基丙二酸
The XLogP value of 3.2 indicates that 2-辛基丙二酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-辛基丙二酸. Following Lipinski's Rule of Five, 2-辛基丙二酸 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 2-辛基丙二酸?
The CAS number of 2-辛基丙二酸 is 760-55-4.
What is the molecular formula of 2-辛基丙二酸?
The molecular formula of 2-辛基丙二酸 is C11H20O4.
What is the molecular weight of 2-辛基丙二酸?
The molecular weight of 2-辛基丙二酸 is 216.14 g/mol.
Where can I buy 2-辛基丙二酸?
You can request a quote for 2-辛基丙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-辛基丙二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-辛基丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.