(+)-Benzhexol methyl iodide
TL;DR: (+)-Benzhexol methyl iodide (CAS 30953-88-9) is a chemical compound with molecular formula C21H34INO and molecular weight 443.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-3-(1-methylpiperidin-1-ium-1-yl)-1-phenylpropan-1-ol iodide
Also Known As: (+)-Benzhexol methyl iodide, (+-)-Benzhexol methyl iodide, NIOSH/TN4724460, WIN 1593, 1,2-bis-dodecyloxy-4-ethynyl-benzene
| Molecular Formula | C21H34INO |
|---|---|
| Molecular Weight | 443.17 g/mol |
| LogP | 1.4791 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.16852 |
| Heavy Atoms | 24 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 30953-88-9 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CCC(C2CCCCC2)(C3=CC=CC=C3)O.[I-] |
| InChIKey | YKZFNZSNUCCJKU-UHFFFAOYSA-M |
Product Overview
(+)-Benzhexol methyl iodide (CAS 30953-88-9), with molecular formula C21H34INO and molecular weight 443.17 g/mol. IUPAC: 1-cyclohexyl-3-(1-methylpiperidin-1-ium-1-yl)-1-phenylpropan-1-ol iodide.
Chemical Property Profile of (+)-Benzhexol methyl iodide
Property Insights of (+)-Benzhexol methyl iodide
The XLogP value of 1.4791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Benzhexol methyl iodide. With a topological polar surface area (TPSA) of 20.2 Ų, (+)-Benzhexol methyl iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Benzhexol methyl iodide has 1 hydrogen bond donor(s) and 2 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 (+)-Benzhexol methyl iodide?
The CAS number of (+)-Benzhexol methyl iodide is 30953-88-9.
What is the molecular formula of (+)-Benzhexol methyl iodide?
The molecular formula of (+)-Benzhexol methyl iodide is C21H34INO.
What is the molecular weight of (+)-Benzhexol methyl iodide?
The molecular weight of (+)-Benzhexol methyl iodide is 443.17 g/mol.
Where can I buy (+)-Benzhexol methyl iodide?
You can request a quote for (+)-Benzhexol methyl iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Benzhexol methyl iodide?
Yes, KEHONG BIO provides custom synthesis services for (+)-Benzhexol methyl iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.