3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione
TL;DR: 3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione (CAS 401830-44-2) is a chemical compound with molecular formula C14H13NO2S and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-methylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
Also Known As: 3-allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione, AH-487/41658645, (5E)-5-(3-methylbenzylidene)-3-(prop-2-en-1-yl)-1,3-thiazolidine-2,4-dione, (5E)-5-[(3-methylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione, 5-[(3-methylphenyl)methylene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
| Molecular Formula | C14H13NO2S |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 3.21732 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0667 |
| Heavy Atoms | 18 |
| Complexity | 548.4799 |
Chemical Identifiers
| CAS Number | 401830-44-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)/C=C/2\C(=O)N(C(=O)S2)CC=C |
Product Overview
3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione (CAS 401830-44-2), with molecular formula C14H13NO2S and molecular weight 259.07 g/mol. IUPAC: (5E)-5-[(3-methylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of 3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione
Property Insights of 3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione
The XLogP value of 3.21732 indicates that 3-Allyl-5-(3-methylbenzylidene)-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 37.38 Ų, 3-Allyl-5-(3-methylbenzylidene)-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-methylbenzylidene)-1,3-thiazolidine-2,4-dione has 0 hydrogen bond donor(s) and 3 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-methylbenzylidene)-1,3-thiazolidine-2,4-dione?
The CAS number of 3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione is 401830-44-2.
What is the molecular formula of 3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular formula of 3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione is C14H13NO2S.
What is the molecular weight of 3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular weight of 3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione is 259.07 g/mol.
Where can I buy 3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione?
You can request a quote for 3-Allyl-5-(3-methylbenzylidene)-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-methylbenzylidene)-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.