Bionet1_000901
TL;DR: Bionet1_000901 (CAS 246022-29-7) is a chemical compound with molecular formula C16H10Cl4N2O and molecular weight 385.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-[1-methyl-5-(2,2,2-trichloroacetyl)pyrrol-2-yl]prop-2-enenitrile
Also Known As: Bionet1_000901, 3-(4-chlorophenyl)-2-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-2-yl]acrylonitrile, 3-(4-chlorophenyl)-2-[1-methyl-5-(2,2,2-trichloroacetyl)pyrrol-2-yl]prop-2-enenitrile
| Molecular Formula | C16H10Cl4N2O |
|---|---|
| Molecular Weight | 385.95 g/mol |
| LogP | 5.29558 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.9547 |
| Heavy Atoms | 23 |
| Complexity | 808.0863 |
Chemical Identifiers
| CAS Number | 246022-29-7 |
|---|---|
| SMILES | CN1C(=CC=C1C(=O)C(Cl)(Cl)Cl)C(=CC2=CC=C(C=C2)Cl)C#N |
Product Overview
Bionet1_000901 (CAS 246022-29-7), with molecular formula C16H10Cl4N2O and molecular weight 385.95 g/mol. IUPAC: 3-(4-chlorophenyl)-2-[1-methyl-5-(2,2,2-trichloroacetyl)pyrrol-2-yl]prop-2-enenitrile.
Chemical Property Profile of Bionet1_000901
Property Insights of Bionet1_000901
The XLogP value of 5.29558 indicates that Bionet1_000901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, Bionet1_000901 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000901 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_000901?
The CAS number of Bionet1_000901 is 246022-29-7.
What is the molecular formula of Bionet1_000901?
The molecular formula of Bionet1_000901 is C16H10Cl4N2O.
What is the molecular weight of Bionet1_000901?
The molecular weight of Bionet1_000901 is 385.95 g/mol.
Where can I buy Bionet1_000901?
You can request a quote for Bionet1_000901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000901?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.