Bionet1_002064
TL;DR: Bionet1_002064 (CAS 477845-27-5) is a chemical compound with molecular formula C19H16ClFN4S and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrrole-3-carbonitrile
Also Known As: Bionet1_002064, 5-(3-chlorothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrrole-3-carbonitrile, 10J-941, 5-(3-chloro-2-thienyl)-2-[4-(4-fluorophenyl)piperazino]-1H-pyrrole-3-carbonitrile, 5-(3-Chloro-2-thienyl)-2-(4-(4-fluorophenyl)piperazino)-1H-pyrrole-3-carbonitrile
| Molecular Formula | C19H16ClFN4S |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 4.73398 |
| Topological Polar Surface Area | 46.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.0768 |
| Heavy Atoms | 26 |
| Complexity | 948.8271 |
Chemical Identifiers
| CAS Number | 477845-27-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(N3)C4=C(C=CS4)Cl)C#N |
Product Overview
Bionet1_002064 (CAS 477845-27-5), with molecular formula C19H16ClFN4S and molecular weight 386.08 g/mol. IUPAC: 5-(3-chlorothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of Bionet1_002064
Property Insights of Bionet1_002064
The XLogP value of 4.73398 indicates that Bionet1_002064 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.06 Ų, Bionet1_002064 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_002064 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 Bionet1_002064?
The CAS number of Bionet1_002064 is 477845-27-5.
What is the molecular formula of Bionet1_002064?
The molecular formula of Bionet1_002064 is C19H16ClFN4S.
What is the molecular weight of Bionet1_002064?
The molecular weight of Bionet1_002064 is 386.08 g/mol.
Where can I buy Bionet1_002064?
You can request a quote for Bionet1_002064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002064?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.