Hexahydroisolaureatin
TL;DR: Hexahydroisolaureatin (CAS 19897-65-5) 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.
(1S,2S,6R,7R)-7-bromo-4-(1-bromopropyl)-2-pentyl-3,9-dioxabicyclo[4.2.1]nonane
Also Known As: Hexahydroisolaureatin, (1S,2S,6R,7R)-7-bromo-4-(1-bromopropyl)-2-pentyl-3,9-dioxabicyclo[4.2.1]nonane, 3,9-Dioxabicyclo(4.2.1)nonane, 7-bromo-4-(1-bromopropyl)-2-pentyl-, 1,7:3,6-Dianhydro-4-bromo-1-(1-bromopropyl)-2,4,5-trideoxy-7-pentylheptitol, (1xi,7S)-1,7:3,6-Dianhydro-4-bromo-1-(1-bromopropyl)-2,4,5-trideoxy-7-pentyl-D-arabino-heptitol
| 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 | 19897-65-5 |
|---|---|
| SMILES | CCCCC[C@H]1[C@@H]2C[C@H]([C@H](O2)CC(O1)C(CC)Br)Br |
| InChIKey | UMAWUWLBVYXWAP-APVKYZDHSA-N |
Product Overview
Hexahydroisolaureatin (CAS 19897-65-5), with molecular formula C15H26Br2O2 and molecular weight 396.03 g/mol. IUPAC: (1S,2S,6R,7R)-7-bromo-4-(1-bromopropyl)-2-pentyl-3,9-dioxabicyclo[4.2.1]nonane.
Chemical Property Profile of Hexahydroisolaureatin
Property Insights of Hexahydroisolaureatin
The XLogP value of 5.3 indicates that Hexahydroisolaureatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Hexahydroisolaureatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydroisolaureatin 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 Hexahydroisolaureatin?
The CAS number of Hexahydroisolaureatin is 19897-65-5.
What is the molecular formula of Hexahydroisolaureatin?
The molecular formula of Hexahydroisolaureatin is C15H26Br2O2.
What is the molecular weight of Hexahydroisolaureatin?
The molecular weight of Hexahydroisolaureatin is 396.03 g/mol.
Where can I buy Hexahydroisolaureatin?
You can request a quote for Hexahydroisolaureatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydroisolaureatin?
Yes, KEHONG BIO provides custom synthesis services for Hexahydroisolaureatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.