10J-552S
TL;DR: 10J-552S (CAS 337921-01-4) is a chemical compound with molecular formula C17H14F3NO6S and molecular weight 417.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,2-dioxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
Also Known As: 10J-552S, 6,7-dimethyl 2,2-dioxo-5-[4-(trifluoromethyl)phenyl]-1H,3H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate, dimethyl 2,2-dioxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate, dimethyl 2,2-dioxo-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-2lambda~6~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate, 6,7-dimethyl2,2-dioxo-5-[4-(trifluoromethyl)phenyl]-1H,3H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
| Molecular Formula | C17H14F3NO6S |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 2.633 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.0494 |
| Heavy Atoms | 28 |
| Complexity | 1067.7928 |
Chemical Identifiers
| CAS Number | 337921-01-4 |
|---|---|
| SMILES | COC(=O)C1=C2CS(=O)(=O)CN2C(=C1C(=O)OC)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
10J-552S (CAS 337921-01-4), with molecular formula C17H14F3NO6S and molecular weight 417.05 g/mol. IUPAC: dimethyl 2,2-dioxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
Chemical Property Profile of 10J-552S
Property Insights of 10J-552S
The XLogP value of 2.633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10J-552S. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 10J-552S. Following Lipinski's Rule of Five, 10J-552S 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 10J-552S?
The CAS number of 10J-552S is 337921-01-4.
What is the molecular formula of 10J-552S?
The molecular formula of 10J-552S is C17H14F3NO6S.
What is the molecular weight of 10J-552S?
The molecular weight of 10J-552S is 417.05 g/mol.
Where can I buy 10J-552S?
You can request a quote for 10J-552S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10J-552S?
Yes, KEHONG BIO provides custom synthesis services for 10J-552S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.