RefChem:1078593
TL;DR: RefChem:1078593 (CAS 1099-73-6) is a chemical compound with molecular formula C21H30INO3 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazanium iodide
Also Known As: (4-(2,5-Dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)trimethylammonium iodide, AMMONIUM, (4-(2,5-DIMETHOXYPHENYL)-4-HYDROXY-4-PHENYL-2-BUTYL)TRIMETHYL-, IODIDE, [4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazanium;iodide, Benzenepropanaminium, gamma-hydroxy-2,5-dimethoxy-N,N,N,alpha-tetramethyl-gamma-phenyl-, iodide (1:1), [4-(2,5-Dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazaniumiodide
| Molecular Formula | C21H30INO3 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 0.43 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.12704 |
| Heavy Atoms | 26 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 1099-73-6 |
|---|---|
| SMILES | CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+](C)(C)C.[I-] |
| InChIKey | BIMKPYYUQXWQKN-UHFFFAOYSA-M |
Product Overview
RefChem:1078593 (CAS 1099-73-6), with molecular formula C21H30INO3 and molecular weight 471.13 g/mol. IUPAC: [4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazanium iodide.
Chemical Property Profile of RefChem:1078593
Property Insights of RefChem:1078593
The XLogP value of 0.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078593. With a topological polar surface area (TPSA) of 38.7 Ų, RefChem:1078593 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078593 has 1 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 RefChem:1078593?
The CAS number of RefChem:1078593 is 1099-73-6.
What is the molecular formula of RefChem:1078593?
The molecular formula of RefChem:1078593 is C21H30INO3.
What is the molecular weight of RefChem:1078593?
The molecular weight of RefChem:1078593 is 471.13 g/mol.
Where can I buy RefChem:1078593?
You can request a quote for RefChem:1078593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078593?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.