BAS 00779452
TL;DR: BAS 00779452 (CAS 315246-65-2) is a chemical compound with molecular formula C18H9Cl3N2S and molecular weight 389.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2,4-dichlorophenyl)prop-2-enenitrile
Also Known As: BAS 00779452, (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2,4-dichlorophenyl)prop-2-enenitrile, (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2,4-dichlorophenyl)-2-propenenitrile, (2E)-3-(2,4-dichlorophenyl)-2-[4-(4-chlorophenyl)(1,3-thiazol-2-yl)]prop-2-ene nitrile, (E)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-(2,4-dichlorophenyl)acrylonitrile
| Molecular Formula | C18H9Cl3N2S |
|---|---|
| Molecular Weight | 389.96 g/mol |
| LogP | 6.83448 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.9552 |
| Heavy Atoms | 24 |
| Complexity | 953.1404 |
Chemical Identifiers
| CAS Number | 315246-65-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/C#N)Cl |
Product Overview
BAS 00779452 (CAS 315246-65-2), with molecular formula C18H9Cl3N2S and molecular weight 389.96 g/mol. IUPAC: (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2,4-dichlorophenyl)prop-2-enenitrile.
Chemical Property Profile of BAS 00779452
Property Insights of BAS 00779452
The XLogP value of 6.83448 indicates that BAS 00779452 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 00779452 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00779452 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 00779452?
The CAS number of BAS 00779452 is 315246-65-2.
What is the molecular formula of BAS 00779452?
The molecular formula of BAS 00779452 is C18H9Cl3N2S.
What is the molecular weight of BAS 00779452?
The molecular weight of BAS 00779452 is 389.96 g/mol.
Where can I buy BAS 00779452?
You can request a quote for BAS 00779452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779452?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.