Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate
TL;DR: Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate (CAS 4236-45-7) is a chemical compound with molecular formula C27H30FNO5 and molecular weight 467.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]-1-phenylbutan-1-ol;oxalic acid
Also Known As: 4-Fluoro-alpha-(3-(methylphenethylamino)propyl)benzhydrol oxalate, 1-Butanol, 1-p-fluorophenyl-3-methylphenethylamino-1-phenyl-, oxalate, Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate, 1-(4-fluorophenyl)-4-[methyl(phenethyl)amino]-1-phenylbutan-1-ol; oxalic acid, Oxalic acid--1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]-1-phenylbutan-1-ol (1/1)
| Molecular Formula | C27H30FNO5 |
|---|---|
| Molecular Weight | 467.21 g/mol |
| LogP | 4.1719 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 467.21082 |
| Heavy Atoms | 34 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 4236-45-7 |
|---|---|
| SMILES | CN(CCCC(C1=CC=CC=C1)(C2=CC=C(C=C2)F)O)CCC3=CC=CC=C3.C(=O)(C(=O)O)O |
| InChIKey | SXHUOQPWUIMESD-UHFFFAOYSA-N |
Product Overview
Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate (CAS 4236-45-7), with molecular formula C27H30FNO5 and molecular weight 467.21 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]-1-phenylbutan-1-ol;oxalic acid.
Chemical Property Profile of Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate
Property Insights of Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate
The XLogP value of 4.1719 indicates that Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate. Following Lipinski's Rule of Five, Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate has 3 hydrogen bond donor(s) and 7 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 Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate?
The CAS number of Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate is 4236-45-7.
What is the molecular formula of Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate?
The molecular formula of Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate is C27H30FNO5.
What is the molecular weight of Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate?
The molecular weight of Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate is 467.21 g/mol.
Where can I buy Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate?
You can request a quote for Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Benzhydrol, 4-fluoro-alpha-(3-(methylphenethylamino)propyl)-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.