CDS1_002889
TL;DR: CDS1_002889 (CAS 350994-76-2) is a chemical compound with molecular formula C22H19NO2S3 and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Also Known As: CDS1_002889, BAS 00501725, (E)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, 5-[3-(4-methoxyphenyl)acryloyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (2E)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C22H19NO2S3 |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 6.50979 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.0578 |
| Heavy Atoms | 28 |
| Complexity | 1123.1837 |
Chemical Identifiers
| CAS Number | 350994-76-2 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)/C=C/C4=CC=C(C=C4)OC)C(=S)SS2)C |
Product Overview
CDS1_002889 (CAS 350994-76-2), with molecular formula C22H19NO2S3 and molecular weight 425.06 g/mol. IUPAC: (E)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of CDS1_002889
Property Insights of CDS1_002889
The XLogP value of 6.50979 indicates that CDS1_002889 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, CDS1_002889 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_002889 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CDS1_002889?
The CAS number of CDS1_002889 is 350994-76-2.
What is the molecular formula of CDS1_002889?
The molecular formula of CDS1_002889 is C22H19NO2S3.
What is the molecular weight of CDS1_002889?
The molecular weight of CDS1_002889 is 425.06 g/mol.
Where can I buy CDS1_002889?
You can request a quote for CDS1_002889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_002889?
Yes, KEHONG BIO provides custom synthesis services for CDS1_002889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.