Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate
TL;DR: Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate (CAS 58762-16-6) is a chemical compound with molecular formula C22H25NO5S and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate
Also Known As: EINECS 261-422-0, Methyl 5-hexyl-7-(S-methylsulphonimidoyl)-9-oxo-9H-xanthene-2-carboxylate, methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate, 5-Hexyl-7-(S-methylsulfonimidoyl)-9-oxo-9H-xanthene-2-carboxylic acid methyl ester, 9H-Xanthene-2-carboxylicacid, 5-hexyl-7-(S-methylsulfonimidoyl)-9-oxo-, methyl ester (9CI)
| Molecular Formula | C22H25NO5S |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 4.89107 |
| Topological Polar Surface Area | 97.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.14536 |
| Heavy Atoms | 29 |
| Complexity | 1241.5131 |
Chemical Identifiers
| CAS Number | 58762-16-6 |
|---|---|
| SMILES | CCCCCCC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC |
Product Overview
Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate (CAS 58762-16-6), with molecular formula C22H25NO5S and molecular weight 415.15 g/mol. IUPAC: methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate.
Chemical Property Profile of Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate
Property Insights of Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate
The XLogP value of 4.89107 indicates that Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate has 1 hydrogen bond donor(s) and 6 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 Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate?
The CAS number of Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate is 58762-16-6.
What is the molecular formula of Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate?
The molecular formula of Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate is C22H25NO5S.
What is the molecular weight of Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate?
The molecular weight of Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate is 415.15 g/mol.
Where can I buy Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate?
You can request a quote for Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.