BAS 02590068
TL;DR: BAS 02590068 (CAS 333413-93-7) is a chemical compound with molecular formula C26H20N2O2S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Also Known As: BAS 02590068, (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile, 3-(4-Benzyloxy-3-methoxy-phenyl)-2-(4-phenyl-thiazol-2-yl)-acrylonitrile, (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile, (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile
| Molecular Formula | C26H20N2O2S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 6.46188 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.12454 |
| Heavy Atoms | 31 |
| Complexity | 1225.264 |
Chemical Identifiers
| CAS Number | 333413-93-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3)OCC4=CC=CC=C4 |
Product Overview
BAS 02590068 (CAS 333413-93-7), with molecular formula C26H20N2O2S and molecular weight 424.12 g/mol. IUPAC: (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of BAS 02590068
Property Insights of BAS 02590068
The XLogP value of 6.46188 indicates that BAS 02590068 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, BAS 02590068 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02590068 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02590068?
The CAS number of BAS 02590068 is 333413-93-7.
What is the molecular formula of BAS 02590068?
The molecular formula of BAS 02590068 is C26H20N2O2S.
What is the molecular weight of BAS 02590068?
The molecular weight of BAS 02590068 is 424.12 g/mol.
Where can I buy BAS 02590068?
You can request a quote for BAS 02590068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02590068?
Yes, KEHONG BIO provides custom synthesis services for BAS 02590068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.