A3286/0139862
TL;DR: A3286/0139862 (CAS 587012-28-0) is a chemical compound with molecular formula C18H16N2O2S2 and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-sulfanylidene-5-(6,9,11,11-tetramethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-ylidene)-1,3-thiazolidin-4-one
Also Known As: A3286/0139862, 4,4,6,8-tetramethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one, (1Z)-1-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one, (1Z)-4,4,6,8-tetramethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one, (Z)-5-(4,4,6,8-tetramethyl-2-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ylidene)-2-thioxothiazolidin-4-one
| Molecular Formula | C18H16N2O2S2 |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | 3.39612 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 356.0653 |
| Heavy Atoms | 24 |
| Complexity | 925.1916 |
Chemical Identifiers
| CAS Number | 587012-28-0 |
|---|---|
| SMILES | CC1=CC2=C3C(=C1)/C(=C/4\C(=O)NC(=S)S4)/C(=O)N3C(C=C2C)(C)C |
Product Overview
A3286/0139862 (CAS 587012-28-0), with molecular formula C18H16N2O2S2 and molecular weight 356.07 g/mol. IUPAC: (5Z)-2-sulfanylidene-5-(6,9,11,11-tetramethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-ylidene)-1,3-thiazolidin-4-one.
Chemical Property Profile of A3286/0139862
Property Insights of A3286/0139862
The XLogP value of 3.39612 indicates that A3286/0139862 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, A3286/0139862 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3286/0139862 has 1 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 A3286/0139862?
The CAS number of A3286/0139862 is 587012-28-0.
What is the molecular formula of A3286/0139862?
The molecular formula of A3286/0139862 is C18H16N2O2S2.
What is the molecular weight of A3286/0139862?
The molecular weight of A3286/0139862 is 356.07 g/mol.
Where can I buy A3286/0139862?
You can request a quote for A3286/0139862 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3286/0139862?
Yes, KEHONG BIO provides custom synthesis services for A3286/0139862 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.