9,10,12,13,15,16-Hexabromooctadecanoic acid
TL;DR: 9,10,12,13,15,16-Hexabromooctadecanoic acid (CAS 4167-08-2) is a chemical compound with molecular formula C18H30Br6O2 and molecular weight 751.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10,12,13,15,16-hexabromooctadecanoic acid
Also Known As: Hexabromostearic Acid, 9,10,12,13,15,16-Hexabromooctadecanoic acid, Hexabromooctadecanoic Acid, ALLOXAN MONOHYDRATE, HEXABROMOSTEARICACID
| Molecular Formula | C18H30Br6O2 |
|---|---|
| Molecular Weight | 751.73 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 757.72845 |
| Heavy Atoms | 26 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 4167-08-2 |
|---|---|
| SMILES | CCC(C(CC(C(CC(C(CCCCCCCC(=O)O)Br)Br)Br)Br)Br)Br |
| InChIKey | XIVWIZLTAYDHDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10,12,13,15,16-Hexabromooctadecanoic acid (CAS 4167-08-2), with molecular formula C18H30Br6O2 and molecular weight 751.73 g/mol. IUPAC: 9,10,12,13,15,16-hexabromooctadecanoic acid.
Chemical Property Profile of 9,10,12,13,15,16-Hexabromooctadecanoic acid
Property Insights of 9,10,12,13,15,16-Hexabromooctadecanoic acid
The XLogP value of 9.0 indicates that 9,10,12,13,15,16-Hexabromooctadecanoic 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, 9,10,12,13,15,16-Hexabromooctadecanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10,12,13,15,16-Hexabromooctadecanoic 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 9,10,12,13,15,16-Hexabromooctadecanoic acid?
The CAS number of 9,10,12,13,15,16-Hexabromooctadecanoic acid is 4167-08-2.
What is the molecular formula of 9,10,12,13,15,16-Hexabromooctadecanoic acid?
The molecular formula of 9,10,12,13,15,16-Hexabromooctadecanoic acid is C18H30Br6O2.
What is the molecular weight of 9,10,12,13,15,16-Hexabromooctadecanoic acid?
The molecular weight of 9,10,12,13,15,16-Hexabromooctadecanoic acid is 751.73 g/mol.
Where can I buy 9,10,12,13,15,16-Hexabromooctadecanoic acid?
You can request a quote for 9,10,12,13,15,16-Hexabromooctadecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10,12,13,15,16-Hexabromooctadecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 9,10,12,13,15,16-Hexabromooctadecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.