BAS 00428711
TL;DR: BAS 00428711 (CAS 330445-85-7) is a chemical compound with molecular formula C22H20Cl2N2OS and molecular weight 430.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,4-dichlorophenyl)-1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]prop-2-en-1-one
Also Known As: BAS 00428711, (E)-3-(2,4-dichlorophenyl)-1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]prop-2-en-1-one, 3-(2,4-dichlorophenyl)-1-[3-(4,4,6-trimethyl-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)phenyl]-2-propen-1-one, (2E)-3-(2,4-dichlorophenyl)-1-[3-(4,4,6-trimethyl-2-thioxo(1,3,4-trihydropyrim idinyl))phenyl]prop-2-en-1-one
| Molecular Formula | C22H20Cl2N2OS |
|---|---|
| Molecular Weight | 430.07 g/mol |
| LogP | 6.2664 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.06735 |
| Heavy Atoms | 28 |
| Complexity | 1011.3464 |
Chemical Identifiers
| CAS Number | 330445-85-7 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=CC(=C2)C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl)(C)C |
Product Overview
BAS 00428711 (CAS 330445-85-7), with molecular formula C22H20Cl2N2OS and molecular weight 430.07 g/mol. IUPAC: (E)-3-(2,4-dichlorophenyl)-1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]prop-2-en-1-one.
Chemical Property Profile of BAS 00428711
Property Insights of BAS 00428711
The XLogP value of 6.2664 indicates that BAS 00428711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, BAS 00428711 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00428711 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00428711?
The CAS number of BAS 00428711 is 330445-85-7.
What is the molecular formula of BAS 00428711?
The molecular formula of BAS 00428711 is C22H20Cl2N2OS.
What is the molecular weight of BAS 00428711?
The molecular weight of BAS 00428711 is 430.07 g/mol.
Where can I buy BAS 00428711?
You can request a quote for BAS 00428711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00428711?
Yes, KEHONG BIO provides custom synthesis services for BAS 00428711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.