RefChem:321629
TL;DR: RefChem:321629 (CAS 83130-60-3) is a chemical compound with molecular formula C23H27BrClN3O2 and molecular weight 491.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-bromo-N-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-ethoxybenzamide
Also Known As: exo-4-Amino-5-bromo-2-ethoxy-N-(8-(3-chlorobenzyl)-8-azabicyclo(3.2.1)oct-3-yl)benzamide, Benzamide, 4-amino-5-bromo-N-(8-((3-chlorophenyl)methyl)-8-azabicyclo(3.2.1)oct-3-yl)-2-ethoxy-, exo-, 4-amino-5-bromo-N-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-ethoxybenzamide, 4-Amino-5-bromo-N-{8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl}-2-ethoxybenzene-1-carboximidic acid, Benzamide,4-amino-5-bromo-N-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-ethoxy-,exo- (9CI)
| Molecular Formula | C23H27BrClN3O2 |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 5.0088 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.09753 |
| Heavy Atoms | 30 |
| Complexity | 924.65936 |
Chemical Identifiers
| CAS Number | 83130-60-3 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC(=CC=C4)Cl)Br)N |
Product Overview
RefChem:321629 (CAS 83130-60-3), with molecular formula C23H27BrClN3O2 and molecular weight 491.10 g/mol. IUPAC: 4-amino-5-bromo-N-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-ethoxybenzamide.
Chemical Property Profile of RefChem:321629
Property Insights of RefChem:321629
The XLogP value of 5.0088 indicates that RefChem:321629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321629. Following Lipinski's Rule of Five, RefChem:321629 has 2 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 RefChem:321629?
The CAS number of RefChem:321629 is 83130-60-3.
What is the molecular formula of RefChem:321629?
The molecular formula of RefChem:321629 is C23H27BrClN3O2.
What is the molecular weight of RefChem:321629?
The molecular weight of RefChem:321629 is 491.10 g/mol.
Where can I buy RefChem:321629?
You can request a quote for RefChem:321629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.