J1.550.932E
TL;DR: J1.550.932E (CAS 568596-69-0) is a chemical compound with molecular formula C18H18F2O7S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 12-(difluoromethyl)-1-hydroxy-3,9-dimethoxy-7,11-dioxa-13-thiatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene-14-carboxylate
Also Known As: J1.550.932E, AB00404753-10, ETHYL 2-DIFLUOROMETHYL-5-HYDROXY-6,10-DIMETHOXY-4,5-DIHYDRO-2,5-METHANOFURO[3,2-H][1,3]BENZOXATHIEPINE-4-CARBOXYLATE, 4,10-Dimethoxy-5-hydroxy-8-(difluoromethyl)-5,8-methano-5,6-dihydro-8H-1,9-dioxa-7-thiacyclohepta[f]indene-6-carboxylic acid ethyl ester, 5-Hydroxy-4,9-dimethoxy-7-(difluoromethyl)-7,5-(epithiomethano)-6,7-dihydro-5H-furo[3,2-g][1]benzopyran-11-carboxylic acid ethyl ester
| Molecular Formula | C18H18F2O7S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 3.06 |
| Topological Polar Surface Area | 87.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.07413 |
| Heavy Atoms | 28 |
| Complexity | 945.64734 |
Chemical Identifiers
| CAS Number | 568596-69-0 |
|---|---|
| SMILES | CCOC(=O)C1C2(CC(S1)(OC3=C(C4=C(C=CO4)C(=C32)OC)OC)C(F)F)O |
Product Overview
J1.550.932E (CAS 568596-69-0), with molecular formula C18H18F2O7S and molecular weight 416.07 g/mol. IUPAC: ethyl 12-(difluoromethyl)-1-hydroxy-3,9-dimethoxy-7,11-dioxa-13-thiatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene-14-carboxylate.
Chemical Property Profile of J1.550.932E
Property Insights of J1.550.932E
The XLogP value of 3.06 indicates that J1.550.932E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.36 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.550.932E. Following Lipinski's Rule of Five, J1.550.932E has 1 hydrogen bond donor(s) and 8 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 J1.550.932E?
The CAS number of J1.550.932E is 568596-69-0.
What is the molecular formula of J1.550.932E?
The molecular formula of J1.550.932E is C18H18F2O7S.
What is the molecular weight of J1.550.932E?
The molecular weight of J1.550.932E is 416.07 g/mol.
Where can I buy J1.550.932E?
You can request a quote for J1.550.932E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.550.932E?
Yes, KEHONG BIO provides custom synthesis services for J1.550.932E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.