BAS 00865576
TL;DR: BAS 00865576 (CAS 313686-25-8) is a chemical compound with molecular formula C20H15BrN2S and molecular weight 394.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-bromophenyl)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 00865576, (2Z)-3-(4-bromophenyl)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, F0291-0088, (Z)-3-(4-bromophenyl)-2-(4-(2,4-dimethylphenyl)thiazol-2-yl)acrylonitrile, (Z)-3-(4-bromophenyl)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C20H15BrN2S |
|---|---|
| Molecular Weight | 394.01 g/mol |
| LogP | 6.25362 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.01392 |
| Heavy Atoms | 24 |
| Complexity | 946.5154 |
Chemical Identifiers
| CAS Number | 313686-25-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=CSC(=N2)/C(=C\C3=CC=C(C=C3)Br)/C#N)C |
Product Overview
BAS 00865576 (CAS 313686-25-8), with molecular formula C20H15BrN2S and molecular weight 394.01 g/mol. IUPAC: (Z)-3-(4-bromophenyl)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 00865576
Property Insights of BAS 00865576
The XLogP value of 6.25362 indicates that BAS 00865576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, BAS 00865576 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00865576 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865576?
The CAS number of BAS 00865576 is 313686-25-8.
What is the molecular formula of BAS 00865576?
The molecular formula of BAS 00865576 is C20H15BrN2S.
What is the molecular weight of BAS 00865576?
The molecular weight of BAS 00865576 is 394.01 g/mol.
Where can I buy BAS 00865576?
You can request a quote for BAS 00865576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865576?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.