4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide
TL;DR: 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide (CAS 852822-94-7) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide
Also Known As: 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide, 4-amino-3-nitro-N-[3-(phenylsulfanyl)propyl]benzamide
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.0892 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 692.22473 |
Chemical Identifiers
| CAS Number | 852822-94-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCCNC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] |
Product Overview
4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide (CAS 852822-94-7), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide.
Chemical Property Profile of 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide
Property Insights of 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide
The XLogP value of 3.0892 indicates that 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide. Following Lipinski's Rule of Five, 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide has 2 hydrogen bond donor(s) and 5 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 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide?
The CAS number of 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide is 852822-94-7.
What is the molecular formula of 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide?
The molecular formula of 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide is C16H17N3O3S.
What is the molecular weight of 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide?
The molecular weight of 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide is 331.10 g/mol.
Where can I buy 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide?
You can request a quote for 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-3-nitro-N-(3-phenylsulfanylpropyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.