Bionet1_004881
TL;DR: Bionet1_004881 (CAS 692732-76-6) is a chemical compound with molecular formula C18H12ClN3OS and molecular weight 353.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]prop-2-enenitrile
Also Known As: Bionet1_004881, MixCom3_000018, (E)-2-benzoyl-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}-2-propenenitrile, 2-benzoyl-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]prop-2-enenitrile
| Molecular Formula | C18H12ClN3OS |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 4.43618 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.03897 |
| Heavy Atoms | 24 |
| Complexity | 934.58704 |
Chemical Identifiers
| CAS Number | 692732-76-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=CC2=CC=CN2CC3=CN=C(S3)Cl)C#N |
Product Overview
Bionet1_004881 (CAS 692732-76-6), with molecular formula C18H12ClN3OS and molecular weight 353.04 g/mol. IUPAC: 2-benzoyl-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]prop-2-enenitrile.
Chemical Property Profile of Bionet1_004881
Property Insights of Bionet1_004881
The XLogP value of 4.43618 indicates that Bionet1_004881 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, Bionet1_004881 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004881 has 0 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_004881?
The CAS number of Bionet1_004881 is 692732-76-6.
What is the molecular formula of Bionet1_004881?
The molecular formula of Bionet1_004881 is C18H12ClN3OS.
What is the molecular weight of Bionet1_004881?
The molecular weight of Bionet1_004881 is 353.04 g/mol.
Where can I buy Bionet1_004881?
You can request a quote for Bionet1_004881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004881?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.