BAS 00866320
TL;DR: BAS 00866320 (CAS 332051-91-9) is a chemical compound with molecular formula C25H20N2O3S and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-butoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 00866320, (E)-3-(4-butoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (E)-3-(4-butoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-(4-butoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C25H20N2O3S |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 6.15958 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.11948 |
| Heavy Atoms | 31 |
| Complexity | 1327.3887 |
Chemical Identifiers
| CAS Number | 332051-91-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
BAS 00866320 (CAS 332051-91-9), with molecular formula C25H20N2O3S and molecular weight 428.12 g/mol. IUPAC: (E)-3-(4-butoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 00866320
Property Insights of BAS 00866320
The XLogP value of 6.15958 indicates that BAS 00866320 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866320. Following Lipinski's Rule of Five, BAS 00866320 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00866320?
The CAS number of BAS 00866320 is 332051-91-9.
What is the molecular formula of BAS 00866320?
The molecular formula of BAS 00866320 is C25H20N2O3S.
What is the molecular weight of BAS 00866320?
The molecular weight of BAS 00866320 is 428.12 g/mol.
Where can I buy BAS 00866320?
You can request a quote for BAS 00866320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866320?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.