3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate
TL;DR: 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate (CAS 332390-80-4) is a chemical compound with molecular formula C15H21N3O4 and molecular weight 307.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitro-5-pyrrolidin-1-ylanilino)propyl acetate
Also Known As: 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate, BAS 01567948, BIM-0045139.P001, AB00102461-01, 3-(2-nitro-5-pyrrolidin-1-ylanilino)propyl acetate
| Molecular Formula | C15H21N3O4 |
|---|---|
| Molecular Weight | 307.15 g/mol |
| LogP | 2.5601 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.1532 |
| Heavy Atoms | 22 |
| Complexity | 541.5891 |
Chemical Identifiers
| CAS Number | 332390-80-4 |
|---|---|
| SMILES | CC(=O)OCCCNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] |
Product Overview
3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate (CAS 332390-80-4), with molecular formula C15H21N3O4 and molecular weight 307.15 g/mol. IUPAC: 3-(2-nitro-5-pyrrolidin-1-ylanilino)propyl acetate.
Chemical Property Profile of 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate
Property Insights of 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate
The XLogP value of 2.5601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate. Following Lipinski's Rule of Five, 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate has 1 hydrogen bond donor(s) and 6 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 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate?
The CAS number of 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate is 332390-80-4.
What is the molecular formula of 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate?
The molecular formula of 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate is C15H21N3O4.
What is the molecular weight of 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate?
The molecular weight of 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate is 307.15 g/mol.
Where can I buy 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate?
You can request a quote for 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Nitro-5-(pyrrolidin-1-yl)phenyl)amino)propyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.