SAD-E_000939
TL;DR: SAD-E_000939 (CAS 6100-69-2) is a chemical compound with molecular formula C33H41NO12 and molecular weight 643.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-3-oxoprop-1-enyl]benzoate
Also Known As: SAD-E_000939, [6-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-3-oxoprop-1-enyl]benzoate, 6-[(5-tert-Butoxy-1-hydroxy-5-oxopentan-2-yl)carbamoyl]-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 4-{3-[(4,4-dimethyl-2-oxooxolan-3-yl)oxy]-3-oxoprop-1-en-1-yl}benzoate
| Molecular Formula | C33H41NO12 |
|---|---|
| Molecular Weight | 643.26 g/mol |
| LogP | 2.3906 |
| Topological Polar Surface Area | 172.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 643.2629 |
| Heavy Atoms | 46 |
| Complexity | 1373.6335 |
Chemical Identifiers
| CAS Number | 6100-69-2 |
|---|---|
| SMILES | CC1(COC(=O)C1OC(=O)C=CC2=CC=C(C=C2)C(=O)OC3CC(=CC4C3OCO4)C(=O)NC(CCC(=O)OC(C)(C)C)CO)C |
Product Overview
SAD-E_000939 (CAS 6100-69-2), with molecular formula C33H41NO12 and molecular weight 643.26 g/mol. IUPAC: [6-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-3-oxoprop-1-enyl]benzoate.
Chemical Property Profile of SAD-E_000939
Property Insights of SAD-E_000939
The XLogP value of 2.3906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SAD-E_000939. The TPSA of 172.99 Ų indicates high polarity, suggesting SAD-E_000939 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SAD-E_000939 has 2 hydrogen bond donor(s) and 12 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_000939?
The CAS number of SAD-E_000939 is 6100-69-2.
What is the molecular formula of SAD-E_000939?
The molecular formula of SAD-E_000939 is C33H41NO12.
What is the molecular weight of SAD-E_000939?
The molecular weight of SAD-E_000939 is 643.26 g/mol.
Where can I buy SAD-E_000939?
You can request a quote for SAD-E_000939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SAD-E_000939?
Yes, KEHONG BIO provides custom synthesis services for SAD-E_000939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.