BAS 00989752
TL;DR: BAS 00989752 (CAS 313687-10-4) is a chemical compound with molecular formula C21H11N3O4S and molecular weight 401.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-nitrophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 00989752, (2E)-3-(2-nitrophenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-(2-nitrophenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-propenenitrile, (E)-3-(2-nitrophenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (E)-3-(2-nitrophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H11N3O4S |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 4.88888 |
| Topological Polar Surface Area | 110.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.04703 |
| Heavy Atoms | 29 |
| Complexity | 1378.4529 |
Chemical Identifiers
| CAS Number | 313687-10-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/C4=CC=CC=C4[N+](=O)[O-])/C#N |
Product Overview
BAS 00989752 (CAS 313687-10-4), with molecular formula C21H11N3O4S and molecular weight 401.05 g/mol. IUPAC: (E)-3-(2-nitrophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 00989752
Property Insights of BAS 00989752
The XLogP value of 4.88888 indicates that BAS 00989752 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00989752. Following Lipinski's Rule of Five, BAS 00989752 has 0 hydrogen bond donor(s) and 7 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 00989752?
The CAS number of BAS 00989752 is 313687-10-4.
What is the molecular formula of BAS 00989752?
The molecular formula of BAS 00989752 is C21H11N3O4S.
What is the molecular weight of BAS 00989752?
The molecular weight of BAS 00989752 is 401.05 g/mol.
Where can I buy BAS 00989752?
You can request a quote for BAS 00989752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00989752?
Yes, KEHONG BIO provides custom synthesis services for BAS 00989752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.