A4094/0174589
TL;DR: A4094/0174589 (CAS 879626-08-1) is a chemical compound with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-9',11',11'-trimethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
Also Known As: A4094/0174589, 3'-(1,3-benzodioxol-5-yl)-4,4,6-trimethyl-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione, 3'-(benzo[d][1,3]dioxol-5-yl)-4,4,6-trimethyl-5,6-dihydrospiro[pyrrolo[3,2,1-ij]quinoline-1,2'-thiazolidine]-2,4'(4H)-dione
| Molecular Formula | C23H22N2O4S |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 3.9805 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 422.13004 |
| Heavy Atoms | 30 |
| Complexity | 1130.1814 |
Chemical Identifiers
| CAS Number | 879626-08-1 |
|---|---|
| SMILES | CC1CC(N2C3=C1C=CC=C3C4(C2=O)N(C(=O)CS4)C5=CC6=C(C=C5)OCO6)(C)C |
Product Overview
A4094/0174589 (CAS 879626-08-1), with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-9',11',11'-trimethylspiro[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 A4094/0174589
Property Insights of A4094/0174589
The XLogP value of 3.9805 indicates that A4094/0174589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, A4094/0174589 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4094/0174589 has 0 hydrogen bond donor(s) and 5 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 A4094/0174589?
The CAS number of A4094/0174589 is 879626-08-1.
What is the molecular formula of A4094/0174589?
The molecular formula of A4094/0174589 is C23H22N2O4S.
What is the molecular weight of A4094/0174589?
The molecular weight of A4094/0174589 is 422.13 g/mol.
Where can I buy A4094/0174589?
You can request a quote for A4094/0174589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4094/0174589?
Yes, KEHONG BIO provides custom synthesis services for A4094/0174589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.