Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
TL;DR: Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester (CAS 111093-27-7) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2-benzoyl-4-nitrophenyl)-4-ethoxyphenyl]carbamothioic S-acid
Also Known As: O-(2-Benzoyl-4-nitrophenyl) (4-ethoxyphenyl)carbamothioate, Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester, [2-(2-benzoyl-4-nitrophenyl)-4-ethoxyphenyl]carbamothioic S-acid, [[2-(2-benzoyl-4-nitro-phenyl)-4-ethoxy-phenyl]amino]methanethioic aci d, (2'-Benzoyl-5-ethoxy-4'-nitro[1,1'-biphenyl]-2-yl)carbamothioic S-acid
Technical Specifications
| Molecular Formula | C22H18N2O5S |
| Molecular Weight | 422.09363 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.09363 Da |
| Heavy Atoms | 30 |
| Complexity | 619.0 |
| SMILES | CCOC1=CC(=C(C=C1)NC(=O)S)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 |
| InChIKey | OABZBKNMYFHBNZ-UHFFFAOYSA-N |
Chemical Property Profile of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
Property Insights of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
The XLogP value of 4.8 indicates that Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester. Following Lipinski's Rule of Five, Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The CAS number of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is 111093-27-7.
What is the molecular formula of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The molecular formula of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is C22H18N2O5S.
What is the molecular weight of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The molecular weight of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is 422.09363 g/mol.
Where can I buy Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
You can request a quote for Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
Yes, CoreyChem provides custom synthesis services for Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.