4-Nitro-2-(3-phenylpropylamino)benzoate
TL;DR: 4-Nitro-2-(3-phenylpropylamino)benzoate (CAS 158913-21-4) is a chemical compound with molecular formula C16H15N2O4- and molecular weight 299.10318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitro-2-(3-phenylpropylamino)benzoate
Also Known As: 4-Nppb, 4-Nitro-2-(3-phenylpropylamino)benzoate, Benzoic acid,4-nitro-2-[(3-phenylpropyl)amino]-, 4-NITRO-2-[(3-PHENYLPROPYL)AMINO]BENZOATE
Technical Specifications
| Molecular Formula | C16H15N2O4- |
| Molecular Weight | 299.10318 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.10318 Da |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
| SMILES | C1=CC=C(C=C1)CCCNC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)[O-] |
| InChIKey | OTSBHGGBOIOBCD-UHFFFAOYSA-M |
Chemical Property Profile of 4-Nitro-2-(3-phenylpropylamino)benzoate
Property Insights of 4-Nitro-2-(3-phenylpropylamino)benzoate
The XLogP value of 4.8 indicates that 4-Nitro-2-(3-phenylpropylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-(3-phenylpropylamino)benzoate. Following Lipinski's Rule of Five, 4-Nitro-2-(3-phenylpropylamino)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Nitro-2-(3-phenylpropylamino)benzoate?
The CAS number of 4-Nitro-2-(3-phenylpropylamino)benzoate is 158913-21-4.
What is the molecular formula of 4-Nitro-2-(3-phenylpropylamino)benzoate?
The molecular formula of 4-Nitro-2-(3-phenylpropylamino)benzoate is C16H15N2O4-.
What is the molecular weight of 4-Nitro-2-(3-phenylpropylamino)benzoate?
The molecular weight of 4-Nitro-2-(3-phenylpropylamino)benzoate is 299.10318 g/mol.
Where can I buy 4-Nitro-2-(3-phenylpropylamino)benzoate?
You can request a quote for 4-Nitro-2-(3-phenylpropylamino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-2-(3-phenylpropylamino)benzoate?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-2-(3-phenylpropylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.