Hexahydrolaureatin
TL;DR: Hexahydrolaureatin (CAS 18762-31-7) is a chemical compound with molecular formula C15H26Br2O2 and molecular weight 396.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4S,6S,7S)-6-bromo-4-[(1S)-1-bromopropyl]-2-pentyl-3,8-dioxabicyclo[5.1.1]nonane
Also Known As: Hexahydrolaureatin, (1R,2R,4S,6S,7S)-6-bromo-4-[(1S)-1-bromopropyl]-2-pentyl-3,9-dioxabicyclo[5.1.1]nonane, (1S,2S,4S,6R,7R)-2-bromo-4-[(1S)-1-bromopropyl]-6-pentyl-5,8-dioxabicyclo[5.1.1]nonane, (1S,7R)-1,7:4,6-Dianhydro-3-bromo-1-[(1S)-1-bromopropyl]-2,3,5-trideoxy-7-pentyl-L-arabino-heptitol, 3,8-Dioxabicyclo(5.1.1)nonane, 6-bromo-4-(1-bromopropyl)-2-pentyl-, (1S-(1alpha,2alpha,4beta(R*),6beta,7alpha))-
| Molecular Formula | C15H26Br2O2 |
|---|---|
| Molecular Weight | 396.03 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.02997 |
| Heavy Atoms | 19 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 18762-31-7 |
|---|---|
| SMILES | CCCCC[C@@H]1[C@H]2C[C@H](O2)[C@H](C[C@H](O1)[C@H](CC)Br)Br |
| InChIKey | FWUJAVCCTPPMCE-RODWMJHOSA-N |
Product Overview
Hexahydrolaureatin (CAS 18762-31-7), with molecular formula C15H26Br2O2 and molecular weight 396.03 g/mol. IUPAC: (1R,2R,4S,6S,7S)-6-bromo-4-[(1S)-1-bromopropyl]-2-pentyl-3,8-dioxabicyclo[5.1.1]nonane.
Chemical Property Profile of Hexahydrolaureatin
Property Insights of Hexahydrolaureatin
The XLogP value of 5.3 indicates that Hexahydrolaureatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Hexahydrolaureatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydrolaureatin has 0 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 Hexahydrolaureatin?
The CAS number of Hexahydrolaureatin is 18762-31-7.
What is the molecular formula of Hexahydrolaureatin?
The molecular formula of Hexahydrolaureatin is C15H26Br2O2.
What is the molecular weight of Hexahydrolaureatin?
The molecular weight of Hexahydrolaureatin is 396.03 g/mol.
Where can I buy Hexahydrolaureatin?
You can request a quote for Hexahydrolaureatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydrolaureatin?
Yes, KEHONG BIO provides custom synthesis services for Hexahydrolaureatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.