4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one
TL;DR: 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one (CAS 86557-46-2) is a chemical compound with molecular formula C11H9NOS and molecular weight 203.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-benzylidene-2-methyl-1,3-thiazol-5-one
Also Known As: 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one, (4Z)-4-benzylidene-2-methyl-1,3-thiazol-5-one, AN-068/37134015
| Molecular Formula | C11H9NOS |
|---|---|
| Molecular Weight | 203.04 g/mol |
| LogP | 2.7193 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.04048 |
| Heavy Atoms | 14 |
| Complexity | 420.1735 |
Chemical Identifiers
| CAS Number | 86557-46-2 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC=CC=C2)/C(=O)S1 |
Product Overview
4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one (CAS 86557-46-2), with molecular formula C11H9NOS and molecular weight 203.04 g/mol. IUPAC: (4Z)-4-benzylidene-2-methyl-1,3-thiazol-5-one.
Chemical Property Profile of 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one
Property Insights of 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one
The XLogP value of 2.7193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one. With a topological polar surface area (TPSA) of 29.43 Ų, 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one 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 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one?
The CAS number of 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one is 86557-46-2.
What is the molecular formula of 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one?
The molecular formula of 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one is C11H9NOS.
What is the molecular weight of 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one?
The molecular weight of 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one is 203.04 g/mol.
Where can I buy 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one?
You can request a quote for 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-benzylidene-2-methyl-1,3-thiazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.