BIM-0043897.P001
TL;DR: BIM-0043897.P001 (CAS 325693-75-2) is a chemical compound with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: BIM-0043897.P001, 2-(2-(4-allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F0739-0020, 2-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione, 3-{2-[4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
| Molecular Formula | C19H16N4O2S |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 3.11859 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0994 |
| Heavy Atoms | 26 |
| Complexity | 1061.4198 |
Chemical Identifiers
| CAS Number | 325693-75-2 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
BIM-0043897.P001 (CAS 325693-75-2), with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol. IUPAC: 2-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of BIM-0043897.P001
Property Insights of BIM-0043897.P001
The XLogP value of 3.11859 indicates that BIM-0043897.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0043897.P001. Following Lipinski's Rule of Five, BIM-0043897.P001 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 BIM-0043897.P001?
The CAS number of BIM-0043897.P001 is 325693-75-2.
What is the molecular formula of BIM-0043897.P001?
The molecular formula of BIM-0043897.P001 is C19H16N4O2S.
What is the molecular weight of BIM-0043897.P001?
The molecular weight of BIM-0043897.P001 is 364.10 g/mol.
Where can I buy BIM-0043897.P001?
You can request a quote for BIM-0043897.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0043897.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0043897.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.