SAD-E_001088
TL;DR: SAD-E_001088 (CAS 6100-84-1) is a chemical compound with molecular formula C55H64N2O15 and molecular weight 992.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[1-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]benzoate
Also Known As: SAD-E_001088, [6-[[1-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]benzoate, 6-[{1-[(5-tert-Butoxy-1-hydroxy-5-oxopentan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}(methyl)carbamoyl]-2,2-diphenyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 2-[3-(hexopyranosyloxy)prop-1-en-1-yl]benzoate
| Molecular Formula | C55H64N2O15 |
|---|---|
| Molecular Weight | 992.43 g/mol |
| LogP | 3.7258 |
| Topological Polar Surface Area | 240.08 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Exact Mass | 992.43066 |
| Heavy Atoms | 72 |
| Complexity | 2474.826 |
Chemical Identifiers
| CAS Number | 6100-84-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCC(CO)NC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C2=CC3C(C(C2)OC(=O)C4=CC=CC=C4C=CCOC5C(C(C(C(O5)CO)O)O)O)OC(O3)(C6=CC=CC=C6)C7=CC=CC=C7 |
Product Overview
SAD-E_001088 (CAS 6100-84-1), with molecular formula C55H64N2O15 and molecular weight 992.43 g/mol. IUPAC: [6-[[1-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]benzoate.
Chemical Property Profile of SAD-E_001088
Property Insights of SAD-E_001088
The XLogP value of 3.7258 indicates that SAD-E_001088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 240.08 Ų indicates high polarity, suggesting SAD-E_001088 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SAD-E_001088 has 6 hydrogen bond donor(s) and 15 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_001088?
The CAS number of SAD-E_001088 is 6100-84-1.
What is the molecular formula of SAD-E_001088?
The molecular formula of SAD-E_001088 is C55H64N2O15.
What is the molecular weight of SAD-E_001088?
The molecular weight of SAD-E_001088 is 992.43 g/mol.
Where can I buy SAD-E_001088?
You can request a quote for SAD-E_001088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SAD-E_001088?
Yes, KEHONG BIO provides custom synthesis services for SAD-E_001088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.