BAS 02171786
TL;DR: BAS 02171786 (CAS 333319-19-0) is a chemical compound with molecular formula C20H13BrN2S and molecular weight 392.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile
Also Known As: BAS 02171786, (E)-3-(4-bromophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile, (2E)-3-(4-BROMOPHENYL)-2-{4H,5H-NAPHTHO[1,2-D][1,3]THIAZOL-2-YL}PROP-2-ENENITRILE, 3-(4-Bromo-phenyl)-2-(4,5-dihydro-naphtho[1,2-d]thiazol-2-yl)-acrylonitrile
| Molecular Formula | C20H13BrN2S |
|---|---|
| Molecular Weight | 392.00 g/mol |
| LogP | 5.73538 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.9983 |
| Heavy Atoms | 24 |
| Complexity | 977.6186 |
Chemical Identifiers
| CAS Number | 333319-19-0 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)N=C(S2)/C(=C/C4=CC=C(C=C4)Br)/C#N |
Product Overview
BAS 02171786 (CAS 333319-19-0), with molecular formula C20H13BrN2S and molecular weight 392.00 g/mol. IUPAC: (E)-3-(4-bromophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of BAS 02171786
Property Insights of BAS 02171786
The XLogP value of 5.73538 indicates that BAS 02171786 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 02171786 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02171786 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 02171786?
The CAS number of BAS 02171786 is 333319-19-0.
What is the molecular formula of BAS 02171786?
The molecular formula of BAS 02171786 is C20H13BrN2S.
What is the molecular weight of BAS 02171786?
The molecular weight of BAS 02171786 is 392.00 g/mol.
Where can I buy BAS 02171786?
You can request a quote for BAS 02171786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02171786?
Yes, KEHONG BIO provides custom synthesis services for BAS 02171786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.