RefChem:1077983
TL;DR: RefChem:1077983 (CAS 76352-21-1) is a chemical compound with molecular formula C27H32BrN3O6 and molecular weight 573.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-ethoxybenzamide;(E)-but-2-enedioic acid
Also Known As: exo-4-Amino-5-bromo-2-ethoxy-N-(8-benzyl-8-azabicyclo(3.2.1)oct-3-yl)benzamide fumarate, Benzamide, 4-amino-5-bromo-2-ethoxy-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, (E)-2-butenedioate (1:1), 4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-ethoxybenzamide; (E)-but-2-enedioic acid, RefChem:1077983
| Molecular Formula | C27H32BrN3O6 |
|---|---|
| Molecular Weight | 573.15 g/mol |
| LogP | 4.0672 |
| Topological Polar Surface Area | 142.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 573.14746 |
| Heavy Atoms | 37 |
| Complexity | 1110.4614 |
Chemical Identifiers
| CAS Number | 76352-21-1 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Br)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1077983 (CAS 76352-21-1), with molecular formula C27H32BrN3O6 and molecular weight 573.15 g/mol. IUPAC: 4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-ethoxybenzamide;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1077983
Property Insights of RefChem:1077983
The XLogP value of 4.0672 indicates that RefChem:1077983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.19 Ų indicates high polarity, suggesting RefChem:1077983 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077983 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1077983?
The CAS number of RefChem:1077983 is 76352-21-1.
What is the molecular formula of RefChem:1077983?
The molecular formula of RefChem:1077983 is C27H32BrN3O6.
What is the molecular weight of RefChem:1077983?
The molecular weight of RefChem:1077983 is 573.15 g/mol.
Where can I buy RefChem:1077983?
You can request a quote for RefChem:1077983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077983?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.