ChemDiv1_005539
TL;DR: ChemDiv1_005539 (CAS 309293-55-8) is a chemical compound with molecular formula C22H18N2O2S4 and molecular weight 470.03 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-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_005539, BAS 01095177, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, A2181/0091651, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
| Molecular Formula | C22H18N2O2S4 |
|---|---|
| Molecular Weight | 470.03 g/mol |
| LogP | 7.02971 |
| Topological Polar Surface Area | 46.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.02512 |
| Heavy Atoms | 30 |
| Complexity | 1315.6835 |
Chemical Identifiers
| CAS Number | 309293-55-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2C(=O)CSC4=NC5=CC=CC=C5O4)(C)C)SSC3=S |
Product Overview
ChemDiv1_005539 (CAS 309293-55-8), with molecular formula C22H18N2O2S4 and molecular weight 470.03 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_005539
Property Insights of ChemDiv1_005539
The XLogP value of 7.02971 indicates that ChemDiv1_005539 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_005539 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005539 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_005539?
The CAS number of ChemDiv1_005539 is 309293-55-8.
What is the molecular formula of ChemDiv1_005539?
The molecular formula of ChemDiv1_005539 is C22H18N2O2S4.
What is the molecular weight of ChemDiv1_005539?
The molecular weight of ChemDiv1_005539 is 470.03 g/mol.
Where can I buy ChemDiv1_005539?
You can request a quote for ChemDiv1_005539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005539?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.