![[3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate structure](/static/products/5774/57741-99-8.webp)
[3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate
TL;DR: [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate (CAS 57741-99-8) is a chemical compound with molecular formula C51H56N4O17S2 and molecular weight 1060.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate|2,3,4,6-Tetra-O-acetyl-N-[(Z)-({1,2-bis[(benzyloxy)carbonyl]hydrazin-1-yl}sulfanyl){[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl]hexopyranosylamine
| Molecular Formula | C51H56N4O17S2 |
|---|---|
| Molecular Weight | 1060.31 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 302.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Exact Mass | 1060.3082 |
| Heavy Atoms | 74 |
| Complexity | 2130.0 |
Chemical Identifiers
| CAS Number | 57741-99-8 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)NC(=NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)SN(C(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | PKSAPBILFPXAFQ-UHFFFAOYSA-N |
Product Overview
[3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate (CAS 57741-99-8), with molecular formula C51H56N4O17S2 and molecular weight 1060.31 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate
Property Insights of [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate
The XLogP value of 5.9 indicates that [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 302.0 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate?
The CAS number of [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate is 57741-99-8.
What is the molecular formula of [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate is C51H56N4O17S2.
What is the molecular weight of [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate is 1060.31 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.