Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-
TL;DR: Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl- (CAS 2687-90-3) is a chemical compound with molecular formula C16H21NO3S2 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-Methyl-3-phenethylrhodanine, 3-(3,4-Diethoxyphenethyl)-5-methylrhodanine, Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-, 3-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, 3-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C16H21NO3S2 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.09628 |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 2687-90-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCN2C(=O)C(SC2=S)C)OCC |
| InChIKey | PBDMNLKYZPGPAT-UHFFFAOYSA-N |
Product Overview
Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl- (CAS 2687-90-3), with molecular formula C16H21NO3S2 and molecular weight 339.10 g/mol. IUPAC: 3-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-
Property Insights of Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-
The XLogP value of 3.9 indicates that Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-. Following Lipinski's Rule of Five, Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl- has 0 hydrogen bond donor(s) and 5 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 Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-?
The CAS number of Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl- is 2687-90-3.
What is the molecular formula of Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-?
The molecular formula of Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl- is C16H21NO3S2.
What is the molecular weight of Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-?
The molecular weight of Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl- is 339.10 g/mol.
Where can I buy Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-?
You can request a quote for Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.