ChemDiv1_005451
TL;DR: ChemDiv1_005451 (CAS 351469-90-4) is a chemical compound with molecular formula C22H16ClNO2S4 and molecular weight 488.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv1_005451, 5-[(3-chloro-1-benzothien-2-yl)carbonyl]-6-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (3-chloro-1-benzothiophen-2-yl)(6-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, (3-chlorobenzo[b]thiophen-2-yl)(6-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone
| Molecular Formula | C22H16ClNO2S4 |
|---|---|
| Molecular Weight | 488.98 g/mol |
| LogP | 7.97829 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 488.97525 |
| Heavy Atoms | 30 |
| Complexity | 1381.5494 |
Chemical Identifiers
| CAS Number | 351469-90-4 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=C(C5=CC=CC=C5S4)Cl)C(=CC=C3)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_005451 (CAS 351469-90-4), with molecular formula C22H16ClNO2S4 and molecular weight 488.98 g/mol. IUPAC: (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv1_005451
Property Insights of ChemDiv1_005451
The XLogP value of 7.97829 indicates that ChemDiv1_005451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, ChemDiv1_005451 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005451 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_005451?
The CAS number of ChemDiv1_005451 is 351469-90-4.
What is the molecular formula of ChemDiv1_005451?
The molecular formula of ChemDiv1_005451 is C22H16ClNO2S4.
What is the molecular weight of ChemDiv1_005451?
The molecular weight of ChemDiv1_005451 is 488.98 g/mol.
Where can I buy ChemDiv1_005451?
You can request a quote for ChemDiv1_005451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005451?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.