N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide
TL;DR: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide (CAS 430443-63-3) is a chemical compound with molecular formula C21H17N3O3S and molecular weight 391.10 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-methyl-3-nitrobenzamide
Also Known As: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide, N-[(acenaphthen-5-ylamino)thioxomethyl](2-methyl-3-nitrophenyl)carboxamide, 3-(1,2-DIHYDROACENAPHTHYLEN-5-YL)-1-(2-METHYL-3-NITROBENZOYL)THIOUREA, N-[(1,2-dihydro-5-acenaphthylenylamino)carbonothioyl]-2-methyl-3-nitrobenzamide, N-[(1,2-dihydroacenaphthylen-5-ylamino)carbonothioyl]-2-methyl-3-nitrobenzamide
| Molecular Formula | C21H17N3O3S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 4.28182 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.09906 |
| Heavy Atoms | 28 |
| Complexity | 1146.8362 |
Chemical Identifiers
| CAS Number | 430443-63-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C3CCC4=C3C2=CC=C4 |
Product Overview
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide (CAS 430443-63-3), with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol. IUPAC: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide
Property Insights of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide
The XLogP value of 4.28182 indicates that N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-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-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-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-methyl-3-nitrobenzamide?
The CAS number of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide is 430443-63-3.
What is the molecular formula of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide?
The molecular formula of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide is C21H17N3O3S.
What is the molecular weight of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide?
The molecular weight of N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide is 391.10 g/mol.
Where can I buy N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide?
You can request a quote for N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-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-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.