Bionet1_000321
TL;DR: Bionet1_000321 (CAS 338751-21-6) is a chemical compound with molecular formula C17H16ClN3O2S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-ethoxy-4-(thiophen-2-ylmethyliminomethyl)-1H-pyrazol-3-one
Also Known As: Bionet1_000321, DivK1c_002337, CDS1_001297, 5C-095, 2-(4-chlorophenyl)-5-ethoxy-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C17H16ClN3O2S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 3.8983 |
| Topological Polar Surface Area | 59.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.0652 |
| Heavy Atoms | 24 |
| Complexity | 879.704 |
Chemical Identifiers
| CAS Number | 338751-21-6 |
|---|---|
| SMILES | CCOC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C=NCC3=CC=CS3 |
Product Overview
Bionet1_000321 (CAS 338751-21-6), with molecular formula C17H16ClN3O2S and molecular weight 361.07 g/mol. IUPAC: 2-(4-chlorophenyl)-5-ethoxy-4-(thiophen-2-ylmethyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of Bionet1_000321
Property Insights of Bionet1_000321
The XLogP value of 3.8983 indicates that Bionet1_000321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.38 Ų, Bionet1_000321 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000321 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_000321?
The CAS number of Bionet1_000321 is 338751-21-6.
What is the molecular formula of Bionet1_000321?
The molecular formula of Bionet1_000321 is C17H16ClN3O2S.
What is the molecular weight of Bionet1_000321?
The molecular weight of Bionet1_000321 is 361.07 g/mol.
Where can I buy Bionet1_000321?
You can request a quote for Bionet1_000321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000321?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.