Bionet1_000796
TL;DR: Bionet1_000796 (CAS 338978-23-7) is a chemical compound with molecular formula C19H16ClN5O2 and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-chlorobenzoyl)-1-methylpyrrol-2-yl]-2-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]prop-2-enenitrile
Also Known As: Bionet1_000796, 3-[4-(3-chlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]acrylonitrile, 3-[4-(3-chlorobenzoyl)-1-methylpyrrol-2-yl]-2-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]prop-2-enenitrile, GNF-Pf-3754
| Molecular Formula | C19H16ClN5O2 |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 3.42268 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.09924 |
| Heavy Atoms | 27 |
| Complexity | 1071.9581 |
Chemical Identifiers
| CAS Number | 338978-23-7 |
|---|---|
| SMILES | CN1C=C(C=C1C=C(C#N)C2=NN=C(O2)N(C)C)C(=O)C3=CC(=CC=C3)Cl |
Product Overview
Bionet1_000796 (CAS 338978-23-7), with molecular formula C19H16ClN5O2 and molecular weight 381.10 g/mol. IUPAC: 3-[4-(3-chlorobenzoyl)-1-methylpyrrol-2-yl]-2-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of Bionet1_000796
Property Insights of Bionet1_000796
The XLogP value of 3.42268 indicates that Bionet1_000796 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000796. Following Lipinski's Rule of Five, Bionet1_000796 has 0 hydrogen bond donor(s) and 6 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_000796?
The CAS number of Bionet1_000796 is 338978-23-7.
What is the molecular formula of Bionet1_000796?
The molecular formula of Bionet1_000796 is C19H16ClN5O2.
What is the molecular weight of Bionet1_000796?
The molecular weight of Bionet1_000796 is 381.10 g/mol.
Where can I buy Bionet1_000796?
You can request a quote for Bionet1_000796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000796?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.