Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate
TL;DR: Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate (CAS 817568-91-5) is a chemical compound with molecular formula C18H24IN3O4S and molecular weight 505.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[(3-iodo-4-methoxybenzoyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate, tert-butyl 4-[(3-iodo-4-methoxybenzoyl)carbamothioyl]piperazine-1-carboxylate, tert-butyl 4-{[(3-iodo-4-methoxybenzoyl)amino]carbonothioyl}-1-piperazinecarboxylate, tert-butyl 4-{[(3-iodo-4-methoxyphenyl)carbonyl]carbamothioyl}piperazine-1-carboxylate
| Molecular Formula | C18H24IN3O4S |
|---|---|
| Molecular Weight | 505.05 g/mol |
| LogP | 2.8672 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 505.05322 |
| Heavy Atoms | 27 |
| Complexity | 727.8072 |
Chemical Identifiers
| CAS Number | 817568-91-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)OC)I |
Product Overview
Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate (CAS 817568-91-5), with molecular formula C18H24IN3O4S and molecular weight 505.05 g/mol. IUPAC: tert-butyl 4-[(3-iodo-4-methoxybenzoyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate
Property Insights of Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate
The XLogP value of 2.8672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate?
The CAS number of Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate is 817568-91-5.
What is the molecular formula of Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate?
The molecular formula of Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate is C18H24IN3O4S.
What is the molecular weight of Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate?
The molecular weight of Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate is 505.05 g/mol.
Where can I buy Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate?
You can request a quote for Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-((3-iodo-4-methoxybenzoyl)carbamothioyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.