Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate
TL;DR: Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate (CAS 1023835-50-8) is a chemical compound with molecular formula C15H18IN3O3S and molecular weight 447.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-iodobenzoyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[(4-iodobenzoyl)carbamothioyl]piperazine-1-carboxylate, ETHYL 4-(((4-IODOPHENYL)CARBONYLAMINO)THIOXOMETHYL)PIPERAZINECARBOXYLATE, Ethyl 4-[(4-iodobenzoyl)thiocarbamoyl]piperazine-1-carboxylate, ethyl 4-{[(4-iodophenyl)formamido]methanethioyl}piperazine-1-carboxylate, C15H18IN3O3S
| Molecular Formula | C15H18IN3O3S |
|---|---|
| Molecular Weight | 447.01 g/mol |
| LogP | 2.08 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 447.01135 |
| Heavy Atoms | 23 |
| Complexity | 586.1348 |
Chemical Identifiers
| CAS Number | 1023835-50-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)I |
Product Overview
Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate (CAS 1023835-50-8), with molecular formula C15H18IN3O3S and molecular weight 447.01 g/mol. IUPAC: ethyl 4-[(4-iodobenzoyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate
Property Insights of Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate
The XLogP value of 2.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate has 1 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 Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate?
The CAS number of Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate is 1023835-50-8.
What is the molecular formula of Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate?
The molecular formula of Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate is C15H18IN3O3S.
What is the molecular weight of Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate?
The molecular weight of Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate is 447.01 g/mol.
Where can I buy Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate?
You can request a quote for Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(((4-iodophenyl)carbonylamino)thioxomethyl)piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.