Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide
TL;DR: Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide (CAS 582-40-1) is a chemical compound with molecular formula C12H19BrFNO and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)-1-(3-fluorophenyl)ethanol;hydrobromide
Also Known As: 2-tert-Butylamino-1-(3-fluorophenyl)ethanol hydrobromide, Ethanol, 2-tert-butylamino-1-(3-fluorophenyl)-, hydrobromide, 2-(tert-butylamino)-1-(3-fluorophenyl)ethanol hydrobromide, alpha-(tert-Butylaminomethyl)-3-fluorobenzyl alcohol hydrobromide, BENZYL ALCOHOL, alpha-(tert-BUTYLAMINOMETHYL)-3-FLUORO-, HYDROBROMIDE
| Molecular Formula | C12H19BrFNO |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.83 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.0634 |
| Heavy Atoms | 16 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 582-40-1 |
|---|---|
| SMILES | CC(C)(C)NCC(C1=CC(=CC=C1)F)O.Br |
| InChIKey | OXZRPXMOSXXAFN-UHFFFAOYSA-N |
Product Overview
Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide (CAS 582-40-1), with molecular formula C12H19BrFNO and molecular weight 291.06 g/mol. IUPAC: 2-(tert-butylamino)-1-(3-fluorophenyl)ethanol;hydrobromide.
Chemical Property Profile of Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide
Property Insights of Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide
The XLogP value of 2.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide. With a topological polar surface area (TPSA) of 32.3 Ų, Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide has 3 hydrogen bond donor(s) and 3 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 Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide?
The CAS number of Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide is 582-40-1.
What is the molecular formula of Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide?
The molecular formula of Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide is C12H19BrFNO.
What is the molecular weight of Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide?
The molecular weight of Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide is 291.06 g/mol.
Where can I buy Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide?
You can request a quote for Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.