![{7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate structure](/static/products/5237/52371-81-0.webp)
{7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate
TL;DR: {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate (CAS 52371-81-0) is a chemical compound with molecular formula C22H21N3O8 and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(4-nitrobenzoyl)oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 4-nitrobenzoate
Also Known As: Platynecine-7:9-(p-nitrobenzoate), KST-1B4797, KST-1B4798, {7-[(4-nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate, [7-(4-nitrobenzoyl)oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 4-nitrobenzoate
| Molecular Formula | C22H21N3O8 |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.13287 |
| Heavy Atoms | 33 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 52371-81-0 |
|---|---|
| SMILES | C1CN2CCC(C2C1COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | YIFUBWFNLLICJY-UHFFFAOYSA-N |
Product Overview
{7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate (CAS 52371-81-0), with molecular formula C22H21N3O8 and molecular weight 455.13 g/mol. IUPAC: [7-(4-nitrobenzoyl)oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 4-nitrobenzoate.
Chemical Property Profile of {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate
Property Insights of {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate
The XLogP value of 3.7 indicates that {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate?
The CAS number of {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate is 52371-81-0.
What is the molecular formula of {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate?
The molecular formula of {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate is C22H21N3O8.
What is the molecular weight of {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate?
The molecular weight of {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate is 455.13 g/mol.
Where can I buy {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate?
You can request a quote for {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for {7-[(4-Nitrobenzoyl)oxy]hexahydro-1h-pyrrolizin-1-yl}methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.