ChemDiv1_023714
TL;DR: ChemDiv1_023714 (CAS 332074-01-8) is a chemical compound with molecular formula C22H19NO3S3 and molecular weight 441.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv1_023714, BAS 00916194, 1,3-benzodioxol-5-yl(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, 1,3-benzodioxol-5-yl-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, 2H-benzo[3,4-d]1,3-dioxolen-5-yl 4,4,7,8-tetramethyl-1-thioxo(4,5-dihydro-1,2- dithioleno[5,4-c]quinolin-5-yl) ketone
| Molecular Formula | C22H19NO3S3 |
|---|---|
| Molecular Weight | 441.05 g/mol |
| LogP | 6.44713 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 441.0527 |
| Heavy Atoms | 29 |
| Complexity | 1238.5848 |
Chemical Identifiers
| CAS Number | 332074-01-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv1_023714 (CAS 332074-01-8), with molecular formula C22H19NO3S3 and molecular weight 441.05 g/mol. IUPAC: 1,3-benzodioxol-5-yl-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv1_023714
Property Insights of ChemDiv1_023714
The XLogP value of 6.44713 indicates that ChemDiv1_023714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, ChemDiv1_023714 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023714 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023714?
The CAS number of ChemDiv1_023714 is 332074-01-8.
What is the molecular formula of ChemDiv1_023714?
The molecular formula of ChemDiv1_023714 is C22H19NO3S3.
What is the molecular weight of ChemDiv1_023714?
The molecular weight of ChemDiv1_023714 is 441.05 g/mol.
Where can I buy ChemDiv1_023714?
You can request a quote for ChemDiv1_023714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023714?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.