3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione
TL;DR: 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione (CAS 664354-52-3) is a chemical compound with molecular formula C18H20ClNO4S and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
Also Known As: AH-487/41654095, 3-allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione, (5E)-5-[3-chloro-5-ethoxy-4-(propan-2-yloxy)benzylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidine-2,4-dione, (5E)-5-[(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
| Molecular Formula | C18H20ClNO4S |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 4.7482 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.08017 |
| Heavy Atoms | 25 |
| Complexity | 730.03143 |
Chemical Identifiers
| CAS Number | 664354-52-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC=C)Cl)OC(C)C |
Product Overview
3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione (CAS 664354-52-3), with molecular formula C18H20ClNO4S and molecular weight 381.08 g/mol. IUPAC: (5E)-5-[(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione
Property Insights of 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione
The XLogP value of 4.7482 indicates that 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione 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 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione?
The CAS number of 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione is 664354-52-3.
What is the molecular formula of 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular formula of 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione is C18H20ClNO4S.
What is the molecular weight of 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular weight of 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione is 381.08 g/mol.
Where can I buy 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione?
You can request a quote for 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.