1,18-Octadecenedioic acid
TL;DR: 1,18-Octadecenedioic acid (CAS 70445-23-7) is a chemical compound with molecular formula C18H32O4 and molecular weight 312.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadec-2-enedioic acid
Also Known As: Octadecenedioic acid, 1,18-octadecenedioic acid, (E)-octadec-2-enedioic acid
| Molecular Formula | C18H32O4 |
|---|---|
| Molecular Weight | 312.23 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 312.23007 |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 70445-23-7 |
|---|---|
| SMILES | C(CCCCCCCC(=O)O)CCCCCCC=CC(=O)O |
| InChIKey | YDPSQMGOAILWPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,18-Octadecenedioic acid (CAS 70445-23-7), with molecular formula C18H32O4 and molecular weight 312.23 g/mol. IUPAC: octadec-2-enedioic acid.
Chemical Property Profile of 1,18-Octadecenedioic acid
Property Insights of 1,18-Octadecenedioic acid
The XLogP value of 6.3 indicates that 1,18-Octadecenedioic acid 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 1,18-Octadecenedioic acid. Following Lipinski's Rule of Five, 1,18-Octadecenedioic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,18-Octadecenedioic acid?
The CAS number of 1,18-Octadecenedioic acid is 70445-23-7.
What is the molecular formula of 1,18-Octadecenedioic acid?
The molecular formula of 1,18-Octadecenedioic acid is C18H32O4.
What is the molecular weight of 1,18-Octadecenedioic acid?
The molecular weight of 1,18-Octadecenedioic acid is 312.23 g/mol.
Where can I buy 1,18-Octadecenedioic acid?
You can request a quote for 1,18-Octadecenedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,18-Octadecenedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,18-Octadecenedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.