A3587/0152152
TL;DR: A3587/0152152 (CAS 669746-48-9) is a chemical compound with molecular formula C21H22N2O2S2 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-ethyl-5-(6-ethyl-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: A3587/0152152, (Z)-3-ethyl-5-(8-ethyl-4,4,6-trimethyl-2-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ylidene)-2-thioxothiazolidin-4-one, (1Z)-8-ethyl-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one, 3-ETHYL-5-[8-ETHYL-4,4,6-TRIMETHYL-2-OXO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-1(2H)-YLIDEN]-2-THIOXO-1,3-THIAZOLAN-4-ONE, 8-Ethyl-1-[3-ethyl-4-oxo-2-thioxo-thiazolidin-(5Z)-ylidene]-4,4,6-trimethyl-1H,4H-pyrrolo[3,2,1-ij]quinolin- 2-one
| Molecular Formula | C21H22N2O2S2 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 4.3824 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.11227 |
| Heavy Atoms | 27 |
| Complexity | 988.1409 |
Chemical Identifiers
| CAS Number | 669746-48-9 |
|---|---|
| SMILES | CCC1=CC2=C3C(=C1)/C(=C/4\C(=O)N(C(=S)S4)CC)/C(=O)N3C(C=C2C)(C)C |
Product Overview
A3587/0152152 (CAS 669746-48-9), with molecular formula C21H22N2O2S2 and molecular weight 398.11 g/mol. IUPAC: (5Z)-3-ethyl-5-(6-ethyl-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of A3587/0152152
Property Insights of A3587/0152152
The XLogP value of 4.3824 indicates that A3587/0152152 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, A3587/0152152 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3587/0152152 has 0 hydrogen bond donor(s) and 4 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 A3587/0152152?
The CAS number of A3587/0152152 is 669746-48-9.
What is the molecular formula of A3587/0152152?
The molecular formula of A3587/0152152 is C21H22N2O2S2.
What is the molecular weight of A3587/0152152?
The molecular weight of A3587/0152152 is 398.11 g/mol.
Where can I buy A3587/0152152?
You can request a quote for A3587/0152152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3587/0152152?
Yes, KEHONG BIO provides custom synthesis services for A3587/0152152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.