SAD-E_000745
TL;DR: SAD-E_000745 (CAS 6100-49-8) is a chemical compound with molecular formula C33H44N2O11 and molecular weight 644.29 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]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)ethenyl]benzoate
Also Known As: SAD-E_000745, 6-{2-[(5-tert-Butoxy-1-hydroxy-5-oxopentan-2-yl)carbamoyl]pyrrolidine-1-carbonyl}-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]-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}-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 3-[2-(2-hydroxyethoxy)ethen-1-yl]benzoate
| Molecular Formula | C33H44N2O11 |
|---|---|
| Molecular Weight | 644.29 g/mol |
| LogP | 1.8532 |
| Topological Polar Surface Area | 170.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 644.2945 |
| Heavy Atoms | 46 |
| Complexity | 1304.513 |
Chemical Identifiers
| CAS Number | 6100-49-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCC(CO)NC(=O)C1CCCN1C(=O)C2=CC3C(C(C2)OC(=O)C4=CC=CC(=C4)C=COCCO)OCO3 |
Product Overview
SAD-E_000745 (CAS 6100-49-8), with molecular formula C33H44N2O11 and molecular weight 644.29 g/mol. IUPAC: [6-[2-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)ethenyl]benzoate.
Chemical Property Profile of SAD-E_000745
Property Insights of SAD-E_000745
The XLogP value of 1.8532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SAD-E_000745. The TPSA of 170.16 Ų indicates high polarity, suggesting SAD-E_000745 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SAD-E_000745 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_000745?
The CAS number of SAD-E_000745 is 6100-49-8.
What is the molecular formula of SAD-E_000745?
The molecular formula of SAD-E_000745 is C33H44N2O11.
What is the molecular weight of SAD-E_000745?
The molecular weight of SAD-E_000745 is 644.29 g/mol.
Where can I buy SAD-E_000745?
You can request a quote for SAD-E_000745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SAD-E_000745?
Yes, KEHONG BIO provides custom synthesis services for SAD-E_000745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.