A3286/0139863
TL;DR: A3286/0139863 (CAS 587006-08-4) is a chemical compound with molecular formula C21H14Cl2N2O2S2 and molecular weight 459.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dichlorophenyl)-7,7,13-trimethyl-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraene-9,10-dione
Also Known As: A3286/0139863, 9-(3,5-dichlorophenyl)-2,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione, 9-(3,5-dichlorophenyl)-2,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinoline-4,5-dione, 9-(3,5-dichlorophenyl)-2,7,7-trimethyl-10-thioxo-9,10-dihydro-4H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5(7H)-dione
| Molecular Formula | C21H14Cl2N2O2S2 |
|---|---|
| Molecular Weight | 459.99 g/mol |
| LogP | 6.32851 |
| Topological Polar Surface Area | 42.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 459.98737 |
| Heavy Atoms | 29 |
| Complexity | 1316.9296 |
Chemical Identifiers
| CAS Number | 587006-08-4 |
|---|---|
| SMILES | CC1=CC2=C3C(=C1)C(=O)C(=O)N3C(C4=C2C(=S)N(S4)C5=CC(=CC(=C5)Cl)Cl)(C)C |
Product Overview
A3286/0139863 (CAS 587006-08-4), with molecular formula C21H14Cl2N2O2S2 and molecular weight 459.99 g/mol. IUPAC: 4-(3,5-dichlorophenyl)-7,7,13-trimethyl-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraene-9,10-dione.
Chemical Property Profile of A3286/0139863
Property Insights of A3286/0139863
The XLogP value of 6.32851 indicates that A3286/0139863 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.31 Ų, A3286/0139863 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3286/0139863 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3286/0139863?
The CAS number of A3286/0139863 is 587006-08-4.
What is the molecular formula of A3286/0139863?
The molecular formula of A3286/0139863 is C21H14Cl2N2O2S2.
What is the molecular weight of A3286/0139863?
The molecular weight of A3286/0139863 is 459.99 g/mol.
Where can I buy A3286/0139863?
You can request a quote for A3286/0139863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3286/0139863?
Yes, KEHONG BIO provides custom synthesis services for A3286/0139863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.