SAD-E_000097
TL;DR: SAD-E_000097 (CAS 6099-85-0) is a chemical compound with molecular formula C43H64N2O11 and molecular weight 784.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[2-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)ethenyl]benzoate
Also Known As: SAD-E_000097, 6-{2-[(5-tert-Butoxy-1-hydroxy-5-oxopentan-2-yl)carbamoyl]pyrrolidine-1-carbonyl}-2,2-dipentyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 3-[2-(2-hydroxyethoxy)ethenyl]benzoate, [6-[2-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)ethenyl]benzoate, 6-{2-[(5-tert-Butoxy-1-hydroxy-5-oxopentan-2-yl)carbamoyl]pyrrolidine-1-carbonyl}-2,2-dipentyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 3-[2-(2-hydroxyethoxy)ethen-1-yl]benzoate
| Molecular Formula | C43H64N2O11 |
|---|---|
| Molecular Weight | 784.45 g/mol |
| LogP | 5.7526 |
| Topological Polar Surface Area | 170.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 21 |
| Exact Mass | 784.451 |
| Heavy Atoms | 56 |
| Complexity | 1508.9224 |
Chemical Identifiers
| CAS Number | 6099-85-0 |
|---|---|
| SMILES | CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC(=C3)C=COCCO)C(=O)N4CCCC4C(=O)NC(CCC(=O)OC(C)(C)C)CO)CCCCC |
Product Overview
SAD-E_000097 (CAS 6099-85-0), with molecular formula C43H64N2O11 and molecular weight 784.45 g/mol. IUPAC: [6-[2-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)ethenyl]benzoate.
Chemical Property Profile of SAD-E_000097
Property Insights of SAD-E_000097
The XLogP value of 5.7526 indicates that SAD-E_000097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.16 Ų indicates high polarity, suggesting SAD-E_000097 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SAD-E_000097 has 3 hydrogen bond donor(s) and 11 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_000097?
The CAS number of SAD-E_000097 is 6099-85-0.
What is the molecular formula of SAD-E_000097?
The molecular formula of SAD-E_000097 is C43H64N2O11.
What is the molecular weight of SAD-E_000097?
The molecular weight of SAD-E_000097 is 784.45 g/mol.
Where can I buy SAD-E_000097?
You can request a quote for SAD-E_000097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SAD-E_000097?
Yes, KEHONG BIO provides custom synthesis services for SAD-E_000097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.