BAS 02171785
TL;DR: BAS 02171785 (CAS 333319-18-9) is a chemical compound with molecular formula C20H13ClN2S and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-chlorophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile
Also Known As: BAS 02171785, (2E)-3-(3-CHLOROPHENYL)-2-{4H,5H-NAPHTHO[1,2-D][1,3]THIAZOL-2-YL}PROP-2-ENENITRILE, (E)-3-(3-chlorophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile, 3-(3-Chloro-phenyl)-2-(4,5-dihydro-naphtho[1,2-d]thiazol-2-yl)-acrylonitrile
| Molecular Formula | C20H13ClN2S |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 5.62628 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.0488 |
| Heavy Atoms | 24 |
| Complexity | 994.8686 |
Chemical Identifiers
| CAS Number | 333319-18-9 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)N=C(S2)/C(=C/C4=CC(=CC=C4)Cl)/C#N |
Product Overview
BAS 02171785 (CAS 333319-18-9), with molecular formula C20H13ClN2S and molecular weight 348.05 g/mol. IUPAC: (E)-3-(3-chlorophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of BAS 02171785
Property Insights of BAS 02171785
The XLogP value of 5.62628 indicates that BAS 02171785 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 02171785 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02171785 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 02171785?
The CAS number of BAS 02171785 is 333319-18-9.
What is the molecular formula of BAS 02171785?
The molecular formula of BAS 02171785 is C20H13ClN2S.
What is the molecular weight of BAS 02171785?
The molecular weight of BAS 02171785 is 348.05 g/mol.
Where can I buy BAS 02171785?
You can request a quote for BAS 02171785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02171785?
Yes, KEHONG BIO provides custom synthesis services for BAS 02171785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.