9,10,12,13-Tetrabromooctadecanoic acid
TL;DR: 9,10,12,13-Tetrabromooctadecanoic acid (CAS 1794-89-4) is a chemical compound with molecular formula C18H32Br4O2 and molecular weight 595.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10,12,13-tetrabromooctadecanoic acid
Also Known As: 9,10,12,13-Tetrabromooctadecanoic acid, 9,10,12,13-Tetrabromostearic acid, 3-Ethylthiophene, Octadecanoic acid, 9,10,12,13-tetrabromo-, 9,10,12,13-tetrabromo-stearic acid
| Molecular Formula | C18H32Br4O2 |
|---|---|
| Molecular Weight | 595.91 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 599.9095 |
| Heavy Atoms | 24 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 1794-89-4 |
|---|---|
| SMILES | CCCCCC(C(CC(C(CCCCCCCC(=O)O)Br)Br)Br)Br |
| InChIKey | HTORNZPNCYXGMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10,12,13-Tetrabromooctadecanoic acid (CAS 1794-89-4), with molecular formula C18H32Br4O2 and molecular weight 595.91 g/mol. IUPAC: 9,10,12,13-tetrabromooctadecanoic acid.
Chemical Property Profile of 9,10,12,13-Tetrabromooctadecanoic acid
Property Insights of 9,10,12,13-Tetrabromooctadecanoic acid
The XLogP value of 8.4 indicates that 9,10,12,13-Tetrabromooctadecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 9,10,12,13-Tetrabromooctadecanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10,12,13-Tetrabromooctadecanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10,12,13-Tetrabromooctadecanoic acid?
The CAS number of 9,10,12,13-Tetrabromooctadecanoic acid is 1794-89-4.
What is the molecular formula of 9,10,12,13-Tetrabromooctadecanoic acid?
The molecular formula of 9,10,12,13-Tetrabromooctadecanoic acid is C18H32Br4O2.
What is the molecular weight of 9,10,12,13-Tetrabromooctadecanoic acid?
The molecular weight of 9,10,12,13-Tetrabromooctadecanoic acid is 595.91 g/mol.
Where can I buy 9,10,12,13-Tetrabromooctadecanoic acid?
You can request a quote for 9,10,12,13-Tetrabromooctadecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10,12,13-Tetrabromooctadecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 9,10,12,13-Tetrabromooctadecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.