![3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium structure](/static/products/7816/781602-62-8.webp)
3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium
TL;DR: 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium (CAS 781602-62-8) is a chemical compound with molecular formula C16H21N2O2S+ and molecular weight 305.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-dimethyl-2-(2-phenylethylamino)-1,3-thiazol-3-ium-5-yl] propanoate
Also Known As: 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium, [3,4-dimethyl-2-(phenethylamino)-1,3-thiazol-3-ium-5-yl] propanoate, 3,4-Dimethyl-2-[(2-phenylethyl)amino]-5-(propanoyloxy)-1,3-thiazol-3-ium
| Molecular Formula | C16H21N2O2S+ |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 2.85102 |
| Topological Polar Surface Area | 42.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.1324 |
| Heavy Atoms | 21 |
| Complexity | 608.23956 |
Chemical Identifiers
| CAS Number | 781602-62-8 |
|---|---|
| SMILES | CCC(=O)OC1=C([N+](=C(S1)NCCC2=CC=CC=C2)C)C |
Product Overview
3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium (CAS 781602-62-8), with molecular formula C16H21N2O2S+ and molecular weight 305.13 g/mol. IUPAC: [3,4-dimethyl-2-(2-phenylethylamino)-1,3-thiazol-3-ium-5-yl] propanoate.
Chemical Property Profile of 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium
Property Insights of 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium
The XLogP value of 2.85102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium. With a topological polar surface area (TPSA) of 42.21 Ų, 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium has 1 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 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium?
The CAS number of 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium is 781602-62-8.
What is the molecular formula of 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium?
The molecular formula of 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium is C16H21N2O2S+.
What is the molecular weight of 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium?
The molecular weight of 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium is 305.13 g/mol.
Where can I buy 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium?
You can request a quote for 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-5-(1-oxopropoxy)-2-[(2-phenylethyl)amino]thiazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.