Di-iso-propyl malaoxon
TL;DR: Di-iso-propyl malaoxon (CAS 29466-38-4) is a chemical compound with molecular formula C14H27O7PS and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-di(propan-2-yloxy)phosphorylsulfanylbutanedioate
Also Known As: Di-iso-propyl malaoxon, 2-HYDROXY-2-PHENYLETHYLUREA, diethyl 2-di(propan-2-yloxy)phosphorylsulfanylbutanedioate, diethyl 2-{[bis(propan-2-yloxy)phosphoryl]sulfanyl}butanedioate, Diethyl 2-dipropan-2-yloxyphosphorylsulfanylbutanedioate
| Molecular Formula | C14H27O7PS |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 370.12152 |
| Heavy Atoms | 23 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 29466-38-4 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)SP(=O)(OC(C)C)OC(C)C |
| InChIKey | QHSPDKYNDVADIS-UHFFFAOYSA-N |
Product Overview
Di-iso-propyl malaoxon (CAS 29466-38-4), with molecular formula C14H27O7PS and molecular weight 370.12 g/mol. IUPAC: diethyl 2-di(propan-2-yloxy)phosphorylsulfanylbutanedioate.
Chemical Property Profile of Di-iso-propyl malaoxon
Property Insights of Di-iso-propyl malaoxon
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-iso-propyl malaoxon. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-iso-propyl malaoxon. Following Lipinski's Rule of Five, Di-iso-propyl malaoxon has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Di-iso-propyl malaoxon?
The CAS number of Di-iso-propyl malaoxon is 29466-38-4.
What is the molecular formula of Di-iso-propyl malaoxon?
The molecular formula of Di-iso-propyl malaoxon is C14H27O7PS.
What is the molecular weight of Di-iso-propyl malaoxon?
The molecular weight of Di-iso-propyl malaoxon is 370.12 g/mol.
Where can I buy Di-iso-propyl malaoxon?
You can request a quote for Di-iso-propyl malaoxon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-iso-propyl malaoxon?
Yes, KEHONG BIO provides custom synthesis services for Di-iso-propyl malaoxon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.