BAS 01128390
TL;DR: BAS 01128390 (CAS 332115-59-0) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-2-(furan-2-yl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]-4-methylbenzamide
Also Known As: BAS 01128390, BIM-0013873.P001, AB00100047-01, N-[2-(2-furyl)-1-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)vinyl]-4-methylbenzamide, N-[(Z)-2-(furan-2-yl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]-4-methylbenzamide
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 3.29681 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 888.8205 |
Chemical Identifiers
| CAS Number | 332115-59-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C3=NC(=S)NN3 |
Product Overview
BAS 01128390 (CAS 332115-59-0), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: N-[(Z)-2-(furan-2-yl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]-4-methylbenzamide.
Chemical Property Profile of BAS 01128390
Property Insights of BAS 01128390
The XLogP value of 3.29681 indicates that BAS 01128390 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01128390. Following Lipinski's Rule of Five, BAS 01128390 has 3 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 BAS 01128390?
The CAS number of BAS 01128390 is 332115-59-0.
What is the molecular formula of BAS 01128390?
The molecular formula of BAS 01128390 is C16H14N4O2S.
What is the molecular weight of BAS 01128390?
The molecular weight of BAS 01128390 is 326.08 g/mol.
Where can I buy BAS 01128390?
You can request a quote for BAS 01128390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01128390?
Yes, KEHONG BIO provides custom synthesis services for BAS 01128390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.