![(R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide structure](/static/products/388/388598-00-3.png)
(R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide
TL;DR: (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide (CAS 388598-00-3) is a chemical compound with molecular formula C33H35FN4O3 and molecular weight 554.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-N-[2-(dimethylamino)ethyl]-1-[4-[(2-fluorobenzoyl)amino]benzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxamide
Also Known As: (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide
| Molecular Formula | C33H35FN4O3 |
|---|---|
| Molecular Weight | 554.27 g/mol |
| LogP | 5.0554 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.26935 |
| Heavy Atoms | 41 |
| Complexity | 1483.8033 |
Chemical Identifiers
| CAS Number | 388598-00-3 |
|---|---|
| SMILES | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C3=CC=CC=C3C2)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F |
Product Overview
(R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide (CAS 388598-00-3), with molecular formula C33H35FN4O3 and molecular weight 554.27 g/mol. IUPAC: (4R)-N-[2-(dimethylamino)ethyl]-1-[4-[(2-fluorobenzoyl)amino]benzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxamide.
Chemical Property Profile of (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide
Property Insights of (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide
The XLogP value of 5.0554 indicates that (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide. Following Lipinski's Rule of Five, (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide 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 (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide?
The CAS number of (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide is 388598-00-3.
What is the molecular formula of (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide?
The molecular formula of (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide is C33H35FN4O3.
What is the molecular weight of (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide?
The molecular weight of (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide is 554.27 g/mol.
Where can I buy (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide?
You can request a quote for (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (R)-N-(2-(Dimethylamino)ethyl)-1-(4-(2-fluorobenzamido)benzoyl)-1,2,3,5-tetrahydrospiro[benzo[b]azepine-4,1'-cyclopent[2]ene]-3'-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.