1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol
TL;DR: 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol (CAS 6013-93-0) is a chemical compound with molecular formula C28H33N3O4 and molecular weight 475.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
Also Known As: 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol, N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide, N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide, N-(2-{Benzyl[(furan-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-N-[2-(morpholin-4-yl)ethyl]benzamide
| Molecular Formula | C28H33N3O4 |
|---|---|
| Molecular Weight | 475.25 g/mol |
| LogP | 3.59142 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 475.2471 |
| Heavy Atoms | 35 |
| Complexity | 1078.6014 |
Chemical Identifiers
| CAS Number | 6013-93-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N(CCN2CCOCC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4 |
Product Overview
1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol (CAS 6013-93-0), with molecular formula C28H33N3O4 and molecular weight 475.25 g/mol. IUPAC: N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide.
Chemical Property Profile of 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol
Property Insights of 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol
The XLogP value of 3.59142 indicates that 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol has 0 hydrogen bond donor(s) and 5 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-(4-fluorophenyl)-2,2-dimethylpropan-1-ol?
The CAS number of 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol is 6013-93-0.
What is the molecular formula of 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol?
The molecular formula of 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol is C28H33N3O4.
What is the molecular weight of 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol?
The molecular weight of 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol is 475.25 g/mol.
Where can I buy 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol?
You can request a quote for 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.