Bionet1_000036
TL;DR: Bionet1_000036 (CAS 691887-95-3) is a chemical compound with molecular formula C19H20N4OS and molecular weight 352.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]benzamide
Also Known As: Bionet1_000036, MixCom2_000131, 4-(tert-butyl)-N'-{(E)-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methylidene}benzenecarbohydrazide, 4-tert-butyl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]benzamide
| Molecular Formula | C19H20N4OS |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 3.9952 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.13577 |
| Heavy Atoms | 25 |
| Complexity | 871.0473 |
Chemical Identifiers
| CAS Number | 691887-95-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NN=CC2=CC=CN2C3=NC=CS3 |
Product Overview
Bionet1_000036 (CAS 691887-95-3), with molecular formula C19H20N4OS and molecular weight 352.14 g/mol. IUPAC: 4-tert-butyl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]benzamide.
Chemical Property Profile of Bionet1_000036
Property Insights of Bionet1_000036
The XLogP value of 3.9952 indicates that Bionet1_000036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.28 Ų, Bionet1_000036 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000036 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_000036?
The CAS number of Bionet1_000036 is 691887-95-3.
What is the molecular formula of Bionet1_000036?
The molecular formula of Bionet1_000036 is C19H20N4OS.
What is the molecular weight of Bionet1_000036?
The molecular weight of Bionet1_000036 is 352.14 g/mol.
Where can I buy Bionet1_000036?
You can request a quote for Bionet1_000036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000036?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.