Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate
TL;DR: Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate (CAS 706763-91-9) is a chemical compound with molecular formula C12H15BrClN3O2S and molecular weight 378.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-bromo-2-chlorophenyl)carbamothioylamino]carbamate
Also Known As: tert-butyl N-[(4-bromo-2-chlorophenyl)carbamothioylamino]carbamate, tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate, tert-butyl 2-[(4-bromo-2-chlorophenyl)carbamothioyl]hydrazinecarboxylate, (tert-butoxy)-N-({[(4-bromo-2-chlorophenyl)amino]thioxomethyl}amino)carboxamid e
| Molecular Formula | C12H15BrClN3O2S |
|---|---|
| Molecular Weight | 378.98 g/mol |
| LogP | 3.8286 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 378.97568 |
| Heavy Atoms | 20 |
| Complexity | 519.9142 |
Chemical Identifiers
| CAS Number | 706763-91-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NNC(=S)NC1=C(C=C(C=C1)Br)Cl |
Product Overview
Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate (CAS 706763-91-9), with molecular formula C12H15BrClN3O2S and molecular weight 378.98 g/mol. IUPAC: tert-butyl N-[(4-bromo-2-chlorophenyl)carbamothioylamino]carbamate.
Chemical Property Profile of Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate
Property Insights of Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate
The XLogP value of 3.8286 indicates that Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate. Following Lipinski's Rule of Five, Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate has 3 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 Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate?
The CAS number of Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate is 706763-91-9.
What is the molecular formula of Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate?
The molecular formula of Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate is C12H15BrClN3O2S.
What is the molecular weight of Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate?
The molecular weight of Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate is 378.98 g/mol.
Where can I buy Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate?
You can request a quote for Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-((4-bromo-2-chlorophenyl)carbamothioyl)hydrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.