BIM-0035422.P001
TL;DR: BIM-0035422.P001 (CAS 351224-91-4) is a chemical compound with molecular formula C17H17NOS3 and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)but-2-en-1-one
Also Known As: BIM-0035422.P001, 5-(2-butenoyl)-4,4,8-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (E)-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)but-2-en-1-one, (2E)-1-(4,4,8-trimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-y l))but-2-en-1-one, (2E)-1-(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)but-2-en-1-one
| Molecular Formula | C17H17NOS3 |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 5.67231 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.04724 |
| Heavy Atoms | 22 |
| Complexity | 841.8292 |
Chemical Identifiers
| CAS Number | 351224-91-4 |
|---|---|
| SMILES | C/C=C/C(=O)N1C2=C(C=C(C=C2)C)C3=C(C1(C)C)SSC3=S |
Product Overview
BIM-0035422.P001 (CAS 351224-91-4), with molecular formula C17H17NOS3 and molecular weight 347.05 g/mol. IUPAC: (E)-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)but-2-en-1-one.
Chemical Property Profile of BIM-0035422.P001
Property Insights of BIM-0035422.P001
The XLogP value of 5.67231 indicates that BIM-0035422.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, BIM-0035422.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0035422.P001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0035422.P001?
The CAS number of BIM-0035422.P001 is 351224-91-4.
What is the molecular formula of BIM-0035422.P001?
The molecular formula of BIM-0035422.P001 is C17H17NOS3.
What is the molecular weight of BIM-0035422.P001?
The molecular weight of BIM-0035422.P001 is 347.05 g/mol.
Where can I buy BIM-0035422.P001?
You can request a quote for BIM-0035422.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0035422.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0035422.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.