ChemDiv1_007535
TL;DR: ChemDiv1_007535 (CAS 303175-10-2) is a chemical compound with molecular formula C21H16N2O2S4 and molecular weight 456.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_007535, BAS 00655757, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 5-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone
| Molecular Formula | C21H16N2O2S4 |
|---|---|
| Molecular Weight | 456.01 g/mol |
| LogP | 6.72129 |
| Topological Polar Surface Area | 46.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.00946 |
| Heavy Atoms | 29 |
| Complexity | 1268.2598 |
Chemical Identifiers
| CAS Number | 303175-10-2 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)CSC4=NC5=CC=CC=C5O4)C(=S)SS2)C |
Product Overview
ChemDiv1_007535 (CAS 303175-10-2), with molecular formula C21H16N2O2S4 and molecular weight 456.01 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_007535
Property Insights of ChemDiv1_007535
The XLogP value of 6.72129 indicates that ChemDiv1_007535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.34 Ų, ChemDiv1_007535 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007535 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007535?
The CAS number of ChemDiv1_007535 is 303175-10-2.
What is the molecular formula of ChemDiv1_007535?
The molecular formula of ChemDiv1_007535 is C21H16N2O2S4.
What is the molecular weight of ChemDiv1_007535?
The molecular weight of ChemDiv1_007535 is 456.01 g/mol.
Where can I buy ChemDiv1_007535?
You can request a quote for ChemDiv1_007535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007535?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.