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N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide
TL;DR: N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide (CAS 538338-64-6) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-1H-benzimidazole-2-carbothioamide
Also Known As: N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide, N-(4-ethoxyphenyl)-1H-1,3-benzodiazole-2-carbothioamide, N-(4-ethoxyphenyl)-1H-benzimidazole-2-carbothioamide, F1329-0025
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.7492 |
| Topological Polar Surface Area | 49.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 731.548 |
Chemical Identifiers
| CAS Number | 538338-64-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3N2 |
Product Overview
N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide (CAS 538338-64-6), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: N-(4-ethoxyphenyl)-1H-benzimidazole-2-carbothioamide.
Chemical Property Profile of N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide
Property Insights of N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide
The XLogP value of 3.7492 indicates that N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.94 Ų, N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide has 2 hydrogen bond donor(s) and 3 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-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide?
The CAS number of N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide is 538338-64-6.
What is the molecular formula of N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide?
The molecular formula of N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide is C16H15N3OS.
What is the molecular weight of N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide?
The molecular weight of N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide is 297.09 g/mol.
Where can I buy N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide?
You can request a quote for N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-ethoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.