9J-559S
TL;DR: 9J-559S (CAS 339113-64-3) is a chemical compound with molecular formula C16H13Cl2NO5S and molecular weight 400.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(3,4-dichlorophenyl)-2-oxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
Also Known As: 9J-559S, dimethyl 5-(3,4-dichlorophenyl)-2-oxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate, Dimethyl 5-(3,4-dichlorophenyl)-2oxo-2,3-dihydro-1H-2lambda4-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate, Dimethyl 5-(3,4-dichlorophenyl)-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate 2-oxide, 6,7-dimethyl 5-(3,4-dichlorophenyl)-2-oxo-1H,3H-2lambda4-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
| Molecular Formula | C16H13Cl2NO5S |
|---|---|
| Molecular Weight | 400.99 g/mol |
| LogP | 3.2549 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.98914 |
| Heavy Atoms | 25 |
| Complexity | 921.73425 |
Chemical Identifiers
| CAS Number | 339113-64-3 |
|---|---|
| SMILES | COC(=O)C1=C2CS(=O)CN2C(=C1C(=O)OC)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
9J-559S (CAS 339113-64-3), with molecular formula C16H13Cl2NO5S and molecular weight 400.99 g/mol. IUPAC: dimethyl 5-(3,4-dichlorophenyl)-2-oxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
Chemical Property Profile of 9J-559S
Property Insights of 9J-559S
The XLogP value of 3.2549 indicates that 9J-559S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9J-559S. Following Lipinski's Rule of Five, 9J-559S has 0 hydrogen bond donor(s) and 5 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-559S?
The CAS number of 9J-559S is 339113-64-3.
What is the molecular formula of 9J-559S?
The molecular formula of 9J-559S is C16H13Cl2NO5S.
What is the molecular weight of 9J-559S?
The molecular weight of 9J-559S is 400.99 g/mol.
Where can I buy 9J-559S?
You can request a quote for 9J-559S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9J-559S?
Yes, KEHONG BIO provides custom synthesis services for 9J-559S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.