Deoxoviroisin
TL;DR: Deoxoviroisin (CAS 74125-17-0) is a chemical compound with molecular formula C38H56N8O15S and molecular weight 896.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-9-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Also Known As: Deoxoviroisin, 2-(2-Methylsulfinyl)-2-tryptophanviroisin, Viroisin, 2-(2-methylsulfinyl)-2-tryptophan-, 12-(2,3-dihydroxy-2-(hydroxymethyl)propyl)-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-15-((2-methylsulfinyl-1H-indol-3-yl)methyl)-9-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo(19.3.0)tetracosane-2,5,8,11,14,17,20-heptone, 12-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-9-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
| Molecular Formula | C38H56N8O15S |
|---|---|
| Molecular Weight | 896.36 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 896.3586 |
| Heavy Atoms | 62 |
| Complexity | 1690.0 |
Chemical Identifiers
| CAS Number | 74125-17-0 |
|---|---|
| SMILES | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CC(C(C2C(=O)N1)O)O)CO)C(C)O)C(C)C)CC(CO)(CO)O)CC3=C(NC4=CC=CC=C43)S(=O)C |
| InChIKey | YXPPGQLZLHIPJN-UHFFFAOYSA-N |
Product Overview
Deoxoviroisin (CAS 74125-17-0), with molecular formula C38H56N8O15S and molecular weight 896.36 g/mol. IUPAC: 12-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-9-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone.
Chemical Property Profile of Deoxoviroisin
Property Insights of Deoxoviroisin
The XLogP value of -4.0 indicates that Deoxoviroisin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Deoxoviroisin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deoxoviroisin has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deoxoviroisin?
The CAS number of Deoxoviroisin is 74125-17-0.
What is the molecular formula of Deoxoviroisin?
The molecular formula of Deoxoviroisin is C38H56N8O15S.
What is the molecular weight of Deoxoviroisin?
The molecular weight of Deoxoviroisin is 896.36 g/mol.
Where can I buy Deoxoviroisin?
You can request a quote for Deoxoviroisin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxoviroisin?
Yes, KEHONG BIO provides custom synthesis services for Deoxoviroisin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.