ChemDiv1_022552
TL;DR: ChemDiv1_022552 (CAS 332382-59-9) is a chemical compound with molecular formula C23H23NO5S3 and molecular weight 489.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: ChemDiv1_022552, DivK1c_003816, CDS1_002776, BAS 01520457, (8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(3,4,5-trimethoxyphenyl)methanone
| Molecular Formula | C23H23NO5S3 |
|---|---|
| Molecular Weight | 489.07 g/mol |
| LogP | 6.13599 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.07382 |
| Heavy Atoms | 32 |
| Complexity | 1235.7532 |
Chemical Identifiers
| CAS Number | 332382-59-9 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_022552 (CAS 332382-59-9), with molecular formula C23H23NO5S3 and molecular weight 489.07 g/mol. IUPAC: (8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of ChemDiv1_022552
Property Insights of ChemDiv1_022552
The XLogP value of 6.13599 indicates that ChemDiv1_022552 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, ChemDiv1_022552 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022552 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022552?
The CAS number of ChemDiv1_022552 is 332382-59-9.
What is the molecular formula of ChemDiv1_022552?
The molecular formula of ChemDiv1_022552 is C23H23NO5S3.
What is the molecular weight of ChemDiv1_022552?
The molecular weight of ChemDiv1_022552 is 489.07 g/mol.
Where can I buy ChemDiv1_022552?
You can request a quote for ChemDiv1_022552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022552?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.