N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea
TL;DR: N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea (CAS 333740-57-1) is a chemical compound with molecular formula C21H18N2OS and molecular weight 346.11 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-methylbenzamide
Also Known As: BAS 02820673, 1-Acenaphthen-5-yl-3-(2-methyl-benzoyl)-thiourea, N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea, N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methylbenzamide
| Molecular Formula | C21H18N2OS |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 4.37362 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.11398 |
| Heavy Atoms | 25 |
| Complexity | 999.6987 |
Chemical Identifiers
| CAS Number | 333740-57-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C3CCC4=C3C2=CC=C4 |
Product Overview
N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea (CAS 333740-57-1), with molecular formula C21H18N2OS and molecular weight 346.11 g/mol. IUPAC: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methylbenzamide.
Chemical Property Profile of N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea
Property Insights of N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea
The XLogP value of 4.37362 indicates that N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea has 2 hydrogen bond donor(s) and 2 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-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea?
The CAS number of N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea is 333740-57-1.
What is the molecular formula of N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea?
The molecular formula of N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea is C21H18N2OS.
What is the molecular weight of N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea?
The molecular weight of N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea is 346.11 g/mol.
Where can I buy N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea?
You can request a quote for N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea 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-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(1,2-dihydro-5-acenaphthylenyl)-N'-(2-methylbenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.