9J-560S
TL;DR: 9J-560S (CAS 107124-27-6) is a chemical compound with molecular formula C16H13Cl2NO6S and molecular weight 416.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(3,4-dichlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
Also Known As: 9J-560S, Dimethyl 5-(3,4-dichlorophenyl)-2,2-dioxo-2,3-dihydro-1H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate, dimethyl 5-(3,4-dichlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate, 6,7-dimethyl 5-(3,4-dichlorophenyl)-2,2-dioxo-1H,3H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate, 6,7-dimethyl5-(3,4-dichlorophenyl)-2,2-dioxo-1H,3H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
| Molecular Formula | C16H13Cl2NO6S |
|---|---|
| Molecular Weight | 416.98 g/mol |
| LogP | 2.921 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.98407 |
| Heavy Atoms | 26 |
| Complexity | 1041.4948 |
Chemical Identifiers
| CAS Number | 107124-27-6 |
|---|---|
| SMILES | COC(=O)C1=C2CS(=O)(=O)CN2C(=C1C(=O)OC)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
9J-560S (CAS 107124-27-6), with molecular formula C16H13Cl2NO6S and molecular weight 416.98 g/mol. IUPAC: dimethyl 5-(3,4-dichlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
Chemical Property Profile of 9J-560S
Property Insights of 9J-560S
The XLogP value of 2.921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9J-560S. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 9J-560S. Following Lipinski's Rule of Five, 9J-560S has 0 hydrogen bond donor(s) and 6 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 9J-560S?
The CAS number of 9J-560S is 107124-27-6.
What is the molecular formula of 9J-560S?
The molecular formula of 9J-560S is C16H13Cl2NO6S.
What is the molecular weight of 9J-560S?
The molecular weight of 9J-560S is 416.98 g/mol.
Where can I buy 9J-560S?
You can request a quote for 9J-560S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9J-560S?
Yes, KEHONG BIO provides custom synthesis services for 9J-560S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.