ChemDiv1_022663
TL;DR: ChemDiv1_022663 (CAS 330180-39-7) is a chemical compound with molecular formula C23H23NOS3 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv1_022663, DivK1c_003927, CDS1_002887, BAS 00416463, 5-(4-tert-butylbenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C23H23NOS3 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 7.39909 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 425.09418 |
| Heavy Atoms | 28 |
| Complexity | 1113.7395 |
Chemical Identifiers
| CAS Number | 330180-39-7 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC=C(C=C4)C(C)(C)C)C(=S)SS2)C |
Product Overview
ChemDiv1_022663 (CAS 330180-39-7), with molecular formula C23H23NOS3 and molecular weight 425.09 g/mol. IUPAC: (4-tert-butylphenyl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv1_022663
Property Insights of ChemDiv1_022663
The XLogP value of 7.39909 indicates that ChemDiv1_022663 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, ChemDiv1_022663 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022663 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022663?
The CAS number of ChemDiv1_022663 is 330180-39-7.
What is the molecular formula of ChemDiv1_022663?
The molecular formula of ChemDiv1_022663 is C23H23NOS3.
What is the molecular weight of ChemDiv1_022663?
The molecular weight of ChemDiv1_022663 is 425.09 g/mol.
Where can I buy ChemDiv1_022663?
You can request a quote for ChemDiv1_022663 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022663?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022663 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.