Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate
TL;DR: Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate (CAS 84338-66-9) is a chemical compound with molecular formula C16H17ClFNO4S and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidene]propanedioate
Also Known As: diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate, diethyl 2-(3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-yli, diethyl 2-[3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidene]propanedioate
| Molecular Formula | C16H17ClFNO4S |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 3.3701 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.05508 |
| Heavy Atoms | 24 |
| Complexity | 660.0413 |
Chemical Identifiers
| CAS Number | 84338-66-9 |
|---|---|
| SMILES | CCOC(=O)C(=C1N(CCS1)C2=CC(=C(C=C2)F)Cl)C(=O)OCC |
Product Overview
Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate (CAS 84338-66-9), with molecular formula C16H17ClFNO4S and molecular weight 373.06 g/mol. IUPAC: diethyl 2-[3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidene]propanedioate.
Chemical Property Profile of Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate
Property Insights of Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate
The XLogP value of 3.3701 indicates that Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate 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 Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate?
The CAS number of Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate is 84338-66-9.
What is the molecular formula of Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate?
The molecular formula of Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate is C16H17ClFNO4S.
What is the molecular weight of Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate?
The molecular weight of Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate is 373.06 g/mol.
Where can I buy Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate?
You can request a quote for Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-2-ylidenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.