A4022/0171572
TL;DR: A4022/0171572 (CAS 879616-89-4) is a chemical compound with molecular formula C19H14Cl2N2O2S and molecular weight 404.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
Also Known As: A4022/0171572, 3'-(3,4-dichlorophenyl)-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione, 3'-(3,4-dichlorophenyl)-5,6-dihydrospiro[pyrrolo[3,2,1-ij]quinoline-1,2'-thiazolidine]-2,4'(4H)-dione
| Molecular Formula | C19H14Cl2N2O2S |
|---|---|
| Molecular Weight | 404.02 g/mol |
| LogP | 4.219 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 404.0153 |
| Heavy Atoms | 26 |
| Complexity | 980.00665 |
Chemical Identifiers
| CAS Number | 879616-89-4 |
|---|---|
| SMILES | C1CC2=C3C(=CC=C2)C4(C(=O)N3C1)N(C(=O)CS4)C5=CC(=C(C=C5)Cl)Cl |
Product Overview
A4022/0171572 (CAS 879616-89-4), with molecular formula C19H14Cl2N2O2S and molecular weight 404.02 g/mol. IUPAC: 3-(3,4-dichlorophenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione.
Chemical Property Profile of A4022/0171572
Property Insights of A4022/0171572
The XLogP value of 4.219 indicates that A4022/0171572 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, A4022/0171572 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4022/0171572 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4022/0171572?
The CAS number of A4022/0171572 is 879616-89-4.
What is the molecular formula of A4022/0171572?
The molecular formula of A4022/0171572 is C19H14Cl2N2O2S.
What is the molecular weight of A4022/0171572?
The molecular weight of A4022/0171572 is 404.02 g/mol.
Where can I buy A4022/0171572?
You can request a quote for A4022/0171572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4022/0171572?
Yes, KEHONG BIO provides custom synthesis services for A4022/0171572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.