1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea
TL;DR: 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea (CAS 335213-76-8) is a chemical compound with molecular formula C22H20N2O3S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3,4-dimethoxybenzamide
Also Known As: BAS 02818678, 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea, N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3,4-dimethoxybenzamide, N-(1,2-dihydroacenaphthylen-5-yl)-N'-(3,4-dimethoxybenzoyl)thiourea, N-[(acenaphthen-5-ylamino)thioxomethyl](3,4-dimethoxyphenyl)carboxamide
| Molecular Formula | C22H20N2O3S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 4.0824 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.11948 |
| Heavy Atoms | 28 |
| Complexity | 1084.3271 |
Chemical Identifiers
| CAS Number | 335213-76-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C3CCC4=C3C2=CC=C4)OC |
Product Overview
1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea (CAS 335213-76-8), with molecular formula C22H20N2O3S and molecular weight 392.12 g/mol. IUPAC: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3,4-dimethoxybenzamide.
Chemical Property Profile of 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea
Property Insights of 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea
The XLogP value of 4.0824 indicates that 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea 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 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea?
The CAS number of 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea is 335213-76-8.
What is the molecular formula of 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea?
The molecular formula of 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea is C22H20N2O3S.
What is the molecular weight of 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea?
The molecular weight of 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea is 392.12 g/mol.
Where can I buy 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea?
You can request a quote for 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Acenaphthen-5-yl-3-(3,4-dimethoxy-benzoyl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.