F1029-0032
TL;DR: F1029-0032 (CAS 327060-72-0) is a chemical compound with molecular formula C24H23F2NO5S and molecular weight 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4-(difluoromethylsulfanyl)phenyl]-1,3-dimethyl-6-oxocyclohepta[c]pyrrole-5,7-dicarboxylate
Also Known As: F1029-0032, 5,7-diethyl 2-{4-[(difluoromethyl)sulfanyl]phenyl}-1,3-dimethyl-6-oxo-2H,6H-cyclohepta[c]pyrrole-5,7-dicarboxylate, diethyl 2-[4-(difluoromethylsulfanyl)phenyl]-1,3-dimethyl-6-oxocyclohepta[c]pyrrole-5,7-dicarboxylate, diethyl 2-{4-[(difluoromethyl)sulfanyl]phenyl}-1,3-dimethyl-6-oxo-2,6-dihydrocyclohepta[c]pyrrole-5,7-dicarboxylate, diethyl 2-(4-((difluoromethyl)thio)phenyl)-1,3-dimethyl-6-oxo-2,6-dihydrocyclohepta[c]pyrrole-5,7-dicarboxylate
| Molecular Formula | C24H23F2NO5S |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 5.27564 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.1265 |
| Heavy Atoms | 33 |
| Complexity | 1201.0652 |
Chemical Identifiers
| CAS Number | 327060-72-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N(C(=C2C=C(C1=O)C(=O)OCC)C)C3=CC=C(C=C3)SC(F)F)C |
Product Overview
F1029-0032 (CAS 327060-72-0), with molecular formula C24H23F2NO5S and molecular weight 475.13 g/mol. IUPAC: diethyl 2-[4-(difluoromethylsulfanyl)phenyl]-1,3-dimethyl-6-oxocyclohepta[c]pyrrole-5,7-dicarboxylate.
Chemical Property Profile of F1029-0032
Property Insights of F1029-0032
The XLogP value of 5.27564 indicates that F1029-0032 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 F1029-0032. Following Lipinski's Rule of Five, F1029-0032 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1029-0032?
The CAS number of F1029-0032 is 327060-72-0.
What is the molecular formula of F1029-0032?
The molecular formula of F1029-0032 is C24H23F2NO5S.
What is the molecular weight of F1029-0032?
The molecular weight of F1029-0032 is 475.13 g/mol.
Where can I buy F1029-0032?
You can request a quote for F1029-0032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1029-0032?
Yes, KEHONG BIO provides custom synthesis services for F1029-0032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.