Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)-
TL;DR: Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)- (CAS 133307-98-9) is a chemical compound with molecular formula C24H28N4O2 and molecular weight 404.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline
Also Known As: Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)-, 3-nitro-N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline, 3-Nitro-N-[2-(1,2,3,10a-tetrahydro-9H-spiro[benzo[b]cyclopenta[e][1,4]diazepine-10,1'-cyclopentan]-9-yl)ethyl]aniline, 9-[2-(3-Nitroanilino)ethyl]-1,2,3,9,10,10a-hexahydrospiro[benzo[b]cyclopenta[e][1,4]diazepine-10,1 -cyclopentane], N-(2-{2',9'-diazaspiro[cyclopentane-1,8'-tricyclo[8.4.0.03,7]tetradecane]-1'(14'),2',10',12'-tetraen-9'-yl}ethyl)-3-nitroaniline
| Molecular Formula | C24H28N4O2 |
|---|---|
| Molecular Weight | 404.22 g/mol |
| LogP | 5.7123 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.22122 |
| Heavy Atoms | 30 |
| Complexity | 980.67615 |
Chemical Identifiers
| CAS Number | 133307-98-9 |
|---|---|
| SMILES | C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCNC5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)- (CAS 133307-98-9), with molecular formula C24H28N4O2 and molecular weight 404.22 g/mol. IUPAC: 3-nitro-N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline.
Chemical Property Profile of Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)-
Property Insights of Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)-
The XLogP value of 5.7123 indicates that Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)-. Following Lipinski's Rule of Five, Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)-?
The CAS number of Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)- is 133307-98-9.
What is the molecular formula of Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)-?
The molecular formula of Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)- is C24H28N4O2.
What is the molecular weight of Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)-?
The molecular weight of Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)- is 404.22 g/mol.
Where can I buy Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)-?
You can request a quote for Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.