Rhodanine, 5-methyl-3-veratryl-
TL;DR: Rhodanine, 5-methyl-3-veratryl- (CAS 26916-61-0) is a chemical compound with molecular formula C13H15NO3S2 and molecular weight 297.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-Methyl-3-veratrylrhodanine, Rhodanine,3-veratryl, Rhodanine, 5-methyl-3-veratryl-, 3-(3,4-dimethoxybenzyl)-5-methyl-2-thioxo-1,3-thiazolidin-4-one, 3-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C13H15NO3S2 |
|---|---|
| Molecular Weight | 297.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.04935 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 26916-61-0 |
|---|---|
| SMILES | CC1C(=O)N(C(=S)S1)CC2=CC(=C(C=C2)OC)OC |
| InChIKey | LPNTXMJPOZSTGU-UHFFFAOYSA-N |
Product Overview
Rhodanine, 5-methyl-3-veratryl- (CAS 26916-61-0), with molecular formula C13H15NO3S2 and molecular weight 297.05 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of Rhodanine, 5-methyl-3-veratryl-
Property Insights of Rhodanine, 5-methyl-3-veratryl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rhodanine, 5-methyl-3-veratryl-. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Rhodanine, 5-methyl-3-veratryl-. Following Lipinski's Rule of Five, Rhodanine, 5-methyl-3-veratryl- 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, 5-methyl-3-veratryl-?
The CAS number of Rhodanine, 5-methyl-3-veratryl- is 26916-61-0.
What is the molecular formula of Rhodanine, 5-methyl-3-veratryl-?
The molecular formula of Rhodanine, 5-methyl-3-veratryl- is C13H15NO3S2.
What is the molecular weight of Rhodanine, 5-methyl-3-veratryl-?
The molecular weight of Rhodanine, 5-methyl-3-veratryl- is 297.05 g/mol.
Where can I buy Rhodanine, 5-methyl-3-veratryl-?
You can request a quote for Rhodanine, 5-methyl-3-veratryl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhodanine, 5-methyl-3-veratryl-?
Yes, KEHONG BIO provides custom synthesis services for Rhodanine, 5-methyl-3-veratryl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.