ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate
TL;DR: ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate (CAS 897619-81-7) is a chemical compound with molecular formula C16H17BrN2O3S and molecular weight 396.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(6-bromo-4-oxothiochromen-3-yl)piperazine-1-carboxylate
Also Known As: ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate, F2032-0288, ethyl 4-(6-bromo-4-oxothiochromen-3-yl)piperazine-1-carboxylate, ethyl 4-(6-bromo-4-oxo-4H-1-benzothiin-3-yl)-1-piperazinecarboxylate
| Molecular Formula | C16H17BrN2O3S |
|---|---|
| Molecular Weight | 396.01 g/mol |
| LogP | 3.3025 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.01434 |
| Heavy Atoms | 23 |
| Complexity | 784.47925 |
Chemical Identifiers
| CAS Number | 897619-81-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)Br |
Product Overview
ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate (CAS 897619-81-7), with molecular formula C16H17BrN2O3S and molecular weight 396.01 g/mol. IUPAC: ethyl 4-(6-bromo-4-oxothiochromen-3-yl)piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate
Property Insights of ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate
The XLogP value of 3.3025 indicates that ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 5 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-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate is 897619-81-7.
What is the molecular formula of ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate is C16H17BrN2O3S.
What is the molecular weight of ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate is 396.01 g/mol.
Where can I buy ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)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 ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(6-bromo-4-oxo-4H-thiochromen-3-yl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.