(1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
TL;DR: (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol (CAS 6631-58-9) is a chemical compound with molecular formula C13H18N2O6 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
Also Known As: (1s)-1-c-1h-benzimidazol-2-ylhexitol, KST-1A8079, (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
| Molecular Formula | C13H18N2O6 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.1165 |
| Heavy Atoms | 21 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 6631-58-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)[C@@H](C(C(C(C(CO)O)O)O)O)O |
| InChIKey | CYKWATZSCQBYBA-MGEHAVSKSA-N |
Product Overview
(1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol (CAS 6631-58-9), with molecular formula C13H18N2O6 and molecular weight 298.12 g/mol. IUPAC: (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol.
Chemical Property Profile of (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
Property Insights of (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
The XLogP value of -2.5 indicates that (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol?
The CAS number of (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol is 6631-58-9.
What is the molecular formula of (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol?
The molecular formula of (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol is C13H18N2O6.
What is the molecular weight of (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol?
The molecular weight of (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol is 298.12 g/mol.
Where can I buy (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol?
You can request a quote for (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol?
Yes, KEHONG BIO provides custom synthesis services for (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.