N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide
TL;DR: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide (CAS 401618-68-6) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide
Also Known As: AB00108564-01, N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide, N-[(acenaphthen-5-ylamino)thioxomethyl](2-nitrophenyl)carboxamide
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 3.9734 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1100.5723 |
Chemical Identifiers
| CAS Number | 401618-68-6 |
|---|---|
| SMILES | C1CC2=CC=C(C3=CC=CC1=C23)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide (CAS 401618-68-6), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide.
Chemical Property Profile of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide
Property Insights of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide
The XLogP value of 3.9734 indicates that N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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 N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide?
The CAS number of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide is 401618-68-6.
What is the molecular formula of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide?
The molecular formula of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide is C20H15N3O3S.
What is the molecular weight of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide?
The molecular weight of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide is 377.08 g/mol.
Where can I buy N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide?
You can request a quote for N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.