A3286/0139852
TL;DR: A3286/0139852 (CAS 578735-54-3) is a chemical compound with molecular formula C24H20N2O4S2 and molecular weight 464.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(7,7,13-trimethyl-9,10-dioxo-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraen-4-yl)benzoate
Also Known As: A3286/0139852, 9-{4-[(4-chlorobenzyl)oxy]phenyl}-2-ethoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione, ethyl 4-(2,7,7-trimethyl-4,5-dioxo-10-thioxo-4,5,7,10-tetrahydro-9H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-9-yl)benzoate, ethyl 4-(2,7,7-trimethyl-4,5-dioxo-10-thioxo-4,5,7,10-tetrahydro-9H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-9-yl)benzoate, ethyl 4-(2,7,7-trimethyl-4,5-dioxo-10-thioxo-4H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-9(5H,7H,10H)-yl)benzoate
| Molecular Formula | C24H20N2O4S2 |
|---|---|
| Molecular Weight | 464.09 g/mol |
| LogP | 5.19841 |
| Topological Polar Surface Area | 68.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.08646 |
| Heavy Atoms | 32 |
| Complexity | 1396.5878 |
Chemical Identifiers
| CAS Number | 578735-54-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=S)C3=C(S2)C(N4C5=C3C=C(C=C5C(=O)C4=O)C)(C)C |
Product Overview
A3286/0139852 (CAS 578735-54-3), with molecular formula C24H20N2O4S2 and molecular weight 464.09 g/mol. IUPAC: ethyl 4-(7,7,13-trimethyl-9,10-dioxo-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraen-4-yl)benzoate.
Chemical Property Profile of A3286/0139852
Property Insights of A3286/0139852
The XLogP value of 5.19841 indicates that A3286/0139852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.61 Ų falls within the moderate polarity range, balancing permeability and solubility for A3286/0139852. Following Lipinski's Rule of Five, A3286/0139852 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3286/0139852?
The CAS number of A3286/0139852 is 578735-54-3.
What is the molecular formula of A3286/0139852?
The molecular formula of A3286/0139852 is C24H20N2O4S2.
What is the molecular weight of A3286/0139852?
The molecular weight of A3286/0139852 is 464.09 g/mol.
Where can I buy A3286/0139852?
You can request a quote for A3286/0139852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3286/0139852?
Yes, KEHONG BIO provides custom synthesis services for A3286/0139852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.