![N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide structure](/static/products/832/832093-32-0.png)
N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
TL;DR: N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 832093-32-0) is a chemical compound with molecular formula C24H20N4O3S and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-((5-(1H-Benzo[d]imidazol-2-yl)-2-methylphenyl)carbamothioyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide, N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C24H20N4O3S |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 4.43632 |
| Topological Polar Surface Area | 88.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.1256 |
| Heavy Atoms | 32 |
| Complexity | 1315.3394 |
Chemical Identifiers
| CAS Number | 832093-32-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 832093-32-0), with molecular formula C24H20N4O3S and molecular weight 444.13 g/mol. IUPAC: N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Property Insights of N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
The XLogP value of 4.43632 indicates that N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide. Following Lipinski's Rule of Five, N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has 3 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 N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The CAS number of N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 832093-32-0.
What is the molecular formula of N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular formula of N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C24H20N4O3S.
What is the molecular weight of N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular weight of N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 444.13 g/mol.
Where can I buy N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
You can request a quote for N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.