bornesitol
TL;DR: bornesitol (CAS 58769-21-4) is a chemical compound with molecular formula C7H14O6 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4R,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol
Also Known As: bornesitol, (-)-bornesitol, D-(-)-bornesitol, D-bornesitol, 1D-1-O-Methyl-myo-inositol
| Molecular Formula | C7H14O6 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.07904 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 58769-21-4 |
|---|---|
| SMILES | COC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O |
| InChIKey | DSCFFEYYQKSRSV-DQUUFWEPSA-N |
Product Overview
bornesitol (CAS 58769-21-4), with molecular formula C7H14O6 and molecular weight 194.08 g/mol. IUPAC: (1R,2S,4R,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol.
Chemical Property Profile of bornesitol
Property Insights of bornesitol
The XLogP value of -3.2 indicates that bornesitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for bornesitol. Following Lipinski's Rule of Five, bornesitol has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of bornesitol?
The CAS number of bornesitol is 58769-21-4.
What is the molecular formula of bornesitol?
The molecular formula of bornesitol is C7H14O6.
What is the molecular weight of bornesitol?
The molecular weight of bornesitol is 194.08 g/mol.
Where can I buy bornesitol?
You can request a quote for bornesitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bornesitol?
Yes, KEHONG BIO provides custom synthesis services for bornesitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.