5-Chloro-5-deoxy-myo-inositol
TL;DR: 5-Chloro-5-deoxy-myo-inositol (CAS 91602-03-8) is a chemical compound with molecular formula C6H11ClO5 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chlorocyclohexane-1,2,3,4,5-pentol
Also Known As: 5-Chloro-5-deoxy-myo-inositol, 5-Deoxy-5-chloro-neo-inositol, 6-Chloro-cyclohexane-1,2,3,4,5-pentaol, 6-chlorocyclohexane-1,2,3,4,5-pentol
| Molecular Formula | C6H11ClO5 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.0295 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 91602-03-8 |
|---|---|
| SMILES | C1(C(C(C(C(C1O)O)Cl)O)O)O |
| InChIKey | BSMLUJHFZGTHOG-UHFFFAOYSA-N |
Product Overview
5-Chloro-5-deoxy-myo-inositol (CAS 91602-03-8), with molecular formula C6H11ClO5 and molecular weight 198.03 g/mol. IUPAC: 6-chlorocyclohexane-1,2,3,4,5-pentol.
Chemical Property Profile of 5-Chloro-5-deoxy-myo-inositol
Property Insights of 5-Chloro-5-deoxy-myo-inositol
The XLogP value of -2.4 indicates that 5-Chloro-5-deoxy-myo-inositol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-5-deoxy-myo-inositol. Following Lipinski's Rule of Five, 5-Chloro-5-deoxy-myo-inositol has 5 hydrogen bond donor(s) and 5 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 5-Chloro-5-deoxy-myo-inositol?
The CAS number of 5-Chloro-5-deoxy-myo-inositol is 91602-03-8.
What is the molecular formula of 5-Chloro-5-deoxy-myo-inositol?
The molecular formula of 5-Chloro-5-deoxy-myo-inositol is C6H11ClO5.
What is the molecular weight of 5-Chloro-5-deoxy-myo-inositol?
The molecular weight of 5-Chloro-5-deoxy-myo-inositol is 198.03 g/mol.
Where can I buy 5-Chloro-5-deoxy-myo-inositol?
You can request a quote for 5-Chloro-5-deoxy-myo-inositol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-5-deoxy-myo-inositol?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-5-deoxy-myo-inositol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.