3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
TL;DR: 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one (CAS 883030-97-5) is a chemical compound with molecular formula C9H12N2OS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
Also Known As: Maybridge4_004255, 3-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one, BRD-K66430243-001-01-0, (E)-3-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.70952 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 328.11063 |
Chemical Identifiers
| CAS Number | 883030-97-5 |
|---|---|
| SMILES | CC1=NC(=CS1)C(=O)/C=C/N(C)C |
Product Overview
3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one (CAS 883030-97-5), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: (E)-3-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one.
Chemical Property Profile of 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
Property Insights of 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
The XLogP value of 1.70952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one. With a topological polar surface area (TPSA) of 33.2 Ų, 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 4 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-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one?
The CAS number of 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one is 883030-97-5.
What is the molecular formula of 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one?
The molecular formula of 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one is C9H12N2OS.
What is the molecular weight of 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one?
The molecular weight of 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one is 196.07 g/mol.
Where can I buy 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one?
You can request a quote for 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.