SAD-E_000350
TL;DR: SAD-E_000350 (CAS 6100-10-3) is a chemical compound with molecular formula C45H58N2O16 and molecular weight 882.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6'-[[3-hydroxy-1-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]benzoate
Also Known As: SAD-E_000350, [6'-[[3-hydroxy-1-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]benzoate, N-{1-[(5-tert-Butoxy-1-hydroxy-5-oxopentan-2-yl)imino]-1,3-dihydroxybutan-2-yl}-7-({4-[3-(hexopyranosyloxy)prop-1-en-1-yl]benzoyl}oxy)-1',3',3a,6,7,7a-hexahydrospiro[[1,3]benzodioxole-2,2'-indene]-5-carboximidic acid, N-{1-[(5-tert-Butoxy-1-hydroxy-5-oxopentan-2-yl)imino]-1,3-dihydroxybutan-2-yl}-7-({4-[3-(hexopyranosyloxy)prop-1-en-1-yl]benzoyl}oxy)-1',3',3a,6,7,7a-hexahydrospiro[1,3-benzodioxole-2,2'-indene]-5-carboximidic acid
| Molecular Formula | C45H58N2O16 |
|---|---|
| Molecular Weight | 882.38 g/mol |
| LogP | 0.1155 |
| Topological Polar Surface Area | 269.1 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Exact Mass | 882.37866 |
| Heavy Atoms | 63 |
| Complexity | 1969.3739 |
Chemical Identifiers
| CAS Number | 6100-10-3 |
|---|---|
| SMILES | CC(C(C(=O)NC(CCC(=O)OC(C)(C)C)CO)NC(=O)C1=CC2C(C(C1)OC(=O)C3=CC=C(C=C3)C=CCOC4C(C(C(C(O4)CO)O)O)O)OC5(O2)CC6=CC=CC=C6C5)O |
Product Overview
SAD-E_000350 (CAS 6100-10-3), with molecular formula C45H58N2O16 and molecular weight 882.38 g/mol. IUPAC: [6'-[[3-hydroxy-1-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]benzoate.
Chemical Property Profile of SAD-E_000350
Property Insights of SAD-E_000350
The XLogP value of 0.1155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SAD-E_000350. The TPSA of 269.1 Ų indicates high polarity, suggesting SAD-E_000350 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SAD-E_000350 has 8 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 SAD-E_000350?
The CAS number of SAD-E_000350 is 6100-10-3.
What is the molecular formula of SAD-E_000350?
The molecular formula of SAD-E_000350 is C45H58N2O16.
What is the molecular weight of SAD-E_000350?
The molecular weight of SAD-E_000350 is 882.38 g/mol.
Where can I buy SAD-E_000350?
You can request a quote for SAD-E_000350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SAD-E_000350?
Yes, KEHONG BIO provides custom synthesis services for SAD-E_000350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.