2,6-Dimethyl-4-benzylmercaptopyrylium iodide
TL;DR: 2,6-Dimethyl-4-benzylmercaptopyrylium iodide (CAS 74332-98-2) is a chemical compound with molecular formula C14H16Br2N2O3S and molecular weight 449.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,3-dibromopropyl)-4-hydroxy-2-sulfanylidene-1H-quinazoline-4-carboxylate
Also Known As: 2,6-Dimethyl-4-benzylmercaptopyrylium iodide, 2-Mercapto-3-(2,3-dibromopropyl)-4-carbethoxy-4-hydroxy-3,4-dihydroquinazoline, Ethyl 3-(2,3-dibromopropyl)-4-hydroxy-2-sulfanyl-3,4-dihydroquinazoline-4-carboxylate, 4-Quinazolinecarboxylic acid, 3,4-dihydro-3-(2,3-dibromopropyl)-4-hydroxy-2-mercapto-, ethyl ester, 4-Quinazolinecarboxylic acid, 3-(2,3-dibromopropyl)-1,2,3,4-tetrahydro-4-hydroxy-2-thioxo-, ethyl ester
| Molecular Formula | C14H16Br2N2O3S |
|---|---|
| Molecular Weight | 449.92 g/mol |
| LogP | 2.5656 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.92484 |
| Heavy Atoms | 22 |
| Complexity | 586.9613 |
Chemical Identifiers
| CAS Number | 74332-98-2 |
|---|---|
| SMILES | CCOC(=O)C1(C2=CC=CC=C2NC(=S)N1CC(CBr)Br)O |
Product Overview
2,6-Dimethyl-4-benzylmercaptopyrylium iodide (CAS 74332-98-2), with molecular formula C14H16Br2N2O3S and molecular weight 449.92 g/mol. IUPAC: ethyl 3-(2,3-dibromopropyl)-4-hydroxy-2-sulfanylidene-1H-quinazoline-4-carboxylate.
Chemical Property Profile of 2,6-Dimethyl-4-benzylmercaptopyrylium iodide
Property Insights of 2,6-Dimethyl-4-benzylmercaptopyrylium iodide
The XLogP value of 2.5656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-4-benzylmercaptopyrylium iodide. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-4-benzylmercaptopyrylium iodide. Following Lipinski's Rule of Five, 2,6-Dimethyl-4-benzylmercaptopyrylium iodide has 2 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 2,6-Dimethyl-4-benzylmercaptopyrylium iodide?
The CAS number of 2,6-Dimethyl-4-benzylmercaptopyrylium iodide is 74332-98-2.
What is the molecular formula of 2,6-Dimethyl-4-benzylmercaptopyrylium iodide?
The molecular formula of 2,6-Dimethyl-4-benzylmercaptopyrylium iodide is C14H16Br2N2O3S.
What is the molecular weight of 2,6-Dimethyl-4-benzylmercaptopyrylium iodide?
The molecular weight of 2,6-Dimethyl-4-benzylmercaptopyrylium iodide is 449.92 g/mol.
Where can I buy 2,6-Dimethyl-4-benzylmercaptopyrylium iodide?
You can request a quote for 2,6-Dimethyl-4-benzylmercaptopyrylium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-4-benzylmercaptopyrylium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-4-benzylmercaptopyrylium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.