1-( -2-butanolmonohydroiodide
TL;DR: 1-( -2-butanolmonohydroiodide (CAS 77587-71-4) is a chemical compound with molecular formula C16H23IN4O and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4,5-dihydro-1H-imidazol-2-yl(1H-indol-3-ylmethyl)amino]butan-2-ol;hydroiodide
Also Known As: 1-( -2-butanolmonohydroiodide, 1-( -2-butanolmonohydroiodide, 3-((N-Butan-2-ol-N-imidazolin-2-ylamino)methyl)indole hydroiodide, 1-((4,5-Dihydro-1H-imidazol-2-yl)(1H-indol-3-ylmethyl)amino)-2-butanol monohydroiodide, 2-Butanol, 1-((4,5-dihydro-1H-imidazol-2-yl)(1H-indol-3-ylmethyl)amino)-, monohydroiodide
| Molecular Formula | C16H23IN4O |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 2.318 |
| Topological Polar Surface Area | 63.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.09167 |
| Heavy Atoms | 22 |
| Complexity | 639.8624 |
Chemical Identifiers
| CAS Number | 77587-71-4 |
|---|---|
| SMILES | CCC(CN(CC1=CNC2=CC=CC=C21)C3=NCCN3)O.I |
Product Overview
1-( -2-butanolmonohydroiodide (CAS 77587-71-4), with molecular formula C16H23IN4O and molecular weight 414.09 g/mol. IUPAC: 1-[4,5-dihydro-1H-imidazol-2-yl(1H-indol-3-ylmethyl)amino]butan-2-ol;hydroiodide.
Chemical Property Profile of 1-( -2-butanolmonohydroiodide
Property Insights of 1-( -2-butanolmonohydroiodide
The XLogP value of 2.318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-( -2-butanolmonohydroiodide. The TPSA of 63.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-( -2-butanolmonohydroiodide. Following Lipinski's Rule of Five, 1-( -2-butanolmonohydroiodide has 3 hydrogen bond donor(s) and 4 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 1-( -2-butanolmonohydroiodide?
The CAS number of 1-( -2-butanolmonohydroiodide is 77587-71-4.
What is the molecular formula of 1-( -2-butanolmonohydroiodide?
The molecular formula of 1-( -2-butanolmonohydroiodide is C16H23IN4O.
What is the molecular weight of 1-( -2-butanolmonohydroiodide?
The molecular weight of 1-( -2-butanolmonohydroiodide is 414.09 g/mol.
Where can I buy 1-( -2-butanolmonohydroiodide?
You can request a quote for 1-( -2-butanolmonohydroiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-( -2-butanolmonohydroiodide?
Yes, KEHONG BIO provides custom synthesis services for 1-( -2-butanolmonohydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.