SAD-E_000905
TL;DR: SAD-E_000905 (CAS 6100-65-8) is a chemical compound with molecular formula C36H38N2O8 and molecular weight 626.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate
Also Known As: SAD-E_000905, 6-[{1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenylpropan-2-yl}(methyl)carbamoyl]-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 3-[3-(2-hydroxyphenyl)prop-1-en-1-yl]benzoate, [6-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate
| Molecular Formula | C36H38N2O8 |
|---|---|
| Molecular Weight | 626.26 g/mol |
| LogP | 3.4233 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 626.2628 |
| Heavy Atoms | 46 |
| Complexity | 1587.5789 |
Chemical Identifiers
| CAS Number | 6100-65-8 |
|---|---|
| SMILES | CN(C(CC1=CC=CC=C1)C(=O)NCCO)C(=O)C2=CC3C(C(C2)OC(=O)C4=CC=CC(=C4)C=CCC5=CC=CC=C5O)OCO3 |
Product Overview
SAD-E_000905 (CAS 6100-65-8), with molecular formula C36H38N2O8 and molecular weight 626.26 g/mol. IUPAC: [6-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate.
Chemical Property Profile of SAD-E_000905
Property Insights of SAD-E_000905
The XLogP value of 3.4233 indicates that SAD-E_000905 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.63 Ų falls within the moderate polarity range, balancing permeability and solubility for SAD-E_000905. Following Lipinski's Rule of Five, SAD-E_000905 has 3 hydrogen bond donor(s) and 8 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_000905?
The CAS number of SAD-E_000905 is 6100-65-8.
What is the molecular formula of SAD-E_000905?
The molecular formula of SAD-E_000905 is C36H38N2O8.
What is the molecular weight of SAD-E_000905?
The molecular weight of SAD-E_000905 is 626.26 g/mol.
Where can I buy SAD-E_000905?
You can request a quote for SAD-E_000905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SAD-E_000905?
Yes, KEHONG BIO provides custom synthesis services for SAD-E_000905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.