![2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine structure](/static/products/5716/57165-45-4.webp)
2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine
TL;DR: 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine (CAS 57165-45-4) is a chemical compound with molecular formula C32H38N2O11S2 and molecular weight 690.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-diacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]oxan-3-yl] acetate
Also Known As: 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine, [4,5-diacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]oxan-3-yl] acetate, Thiourea,6,7,9-tetrahydro-1,2,3-trimethoxy- 10-(methylthio)-9-oxobenzo(a)heptalen-7-yl]-N'- (2,3,4-tri-O-acetyl-alpha-L-arabinopyranosyl)-, (S)-
| Molecular Formula | C32H38N2O11S2 |
|---|---|
| Molecular Weight | 690.19 g/mol |
| LogP | 3.0643 |
| Topological Polar Surface Area | 156.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 690.1917 |
| Heavy Atoms | 47 |
| Complexity | 1601.8849 |
Chemical Identifiers
| CAS Number | 57165-45-4 |
|---|---|
| SMILES | CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC(=S)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC |
Product Overview
2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine (CAS 57165-45-4), with molecular formula C32H38N2O11S2 and molecular weight 690.19 g/mol. IUPAC: [4,5-diacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]oxan-3-yl] acetate.
Chemical Property Profile of 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine
Property Insights of 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine
The XLogP value of 3.0643 indicates that 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.95 Ų indicates high polarity, suggesting 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine?
The CAS number of 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine is 57165-45-4.
What is the molecular formula of 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine?
The molecular formula of 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine is C32H38N2O11S2.
What is the molecular weight of 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine?
The molecular weight of 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine is 690.19 g/mol.
Where can I buy 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine?
You can request a quote for 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Tri-O-acetyl-N-(sulfanyl{[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl)pentopyranosylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.