3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone
TL;DR: 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone (CAS 496874-29-4) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone, AN-940/40848354, (5Z)-5-[(2-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 1.9388 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.0776 |
| Heavy Atoms | 19 |
| Complexity | 566.31934 |
Chemical Identifiers
| CAS Number | 496874-29-4 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)N2)CC=C |
Product Overview
3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone (CAS 496874-29-4), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: (5Z)-5-[(2-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone
Property Insights of 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone
The XLogP value of 1.9388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone. With a topological polar surface area (TPSA) of 41.57 Ų, 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone has 1 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-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone?
The CAS number of 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone is 496874-29-4.
What is the molecular formula of 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone?
The molecular formula of 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone is C14H14N2O2S.
What is the molecular weight of 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone?
The molecular weight of 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone is 274.08 g/mol.
Where can I buy 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone?
You can request a quote for 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone 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-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-(2-methoxybenzylidene)-2-thioxo-4-imidazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.