fluoro-cycloheptane
TL;DR: fluoro-cycloheptane (CAS 51444-63-4) is a chemical compound with molecular formula C30H37BrN2O4 and molecular weight 568.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-[4-[[2-(3-phenylpropoxy)benzoyl]amino]benzoyl]oxyethyl]azanium bromide
Also Known As: fluoro-cycloheptane, Diethylmethyl(2-(4-(2-(3-phenylpropoxy)benzamido)benzoyloxy)ethyl)ammonium bromide, Ammonium, diethylmethyl(2-(4-(2-(3-phenylpropoxy)benzamido)benzoyloxy)ethyl)-, bromide, diethyl-methyl-[2-[4-[[2-(3-phenylpropoxy)benzoyl]amino]benzoyl]oxyethyl]azanium bromide, diethyl-methyl-[2-[4-[[2-(3-phenylpropoxy)benzoyl]amino]benzoyl]oxyethyl]azanium,bromide
| Molecular Formula | C30H37BrN2O4 |
|---|---|
| Molecular Weight | 568.19 g/mol |
| LogP | 2.5977 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 568.19366 |
| Heavy Atoms | 37 |
| Complexity | 1115.94 |
Chemical Identifiers
| CAS Number | 51444-63-4 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCCCC3=CC=CC=C3.[Br-] |
Product Overview
fluoro-cycloheptane (CAS 51444-63-4), with molecular formula C30H37BrN2O4 and molecular weight 568.19 g/mol. IUPAC: diethyl-methyl-[2-[4-[[2-(3-phenylpropoxy)benzoyl]amino]benzoyl]oxyethyl]azanium bromide.
Chemical Property Profile of fluoro-cycloheptane
Property Insights of fluoro-cycloheptane
The XLogP value of 2.5977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for fluoro-cycloheptane. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for fluoro-cycloheptane. Following Lipinski's Rule of Five, fluoro-cycloheptane has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of fluoro-cycloheptane?
The CAS number of fluoro-cycloheptane is 51444-63-4.
What is the molecular formula of fluoro-cycloheptane?
The molecular formula of fluoro-cycloheptane is C30H37BrN2O4.
What is the molecular weight of fluoro-cycloheptane?
The molecular weight of fluoro-cycloheptane is 568.19 g/mol.
Where can I buy fluoro-cycloheptane?
You can request a quote for fluoro-cycloheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for fluoro-cycloheptane?
Yes, KEHONG BIO provides custom synthesis services for fluoro-cycloheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.