Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester
TL;DR: Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester (CAS 60004-37-7) is a chemical compound with molecular formula C19H27BrO8 and molecular weight 462.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5,6-dioxoheptyl) 2-(bromomethyl)-2-methylpropanedioate
Also Known As: Bromomethyl(methyl)malonic acid bis(5,6-dioxoheptyl) ester, Bis(5,6-dioxoheptyl) ester of Bromomethylmethylmalonic acid, Bis(5,6-dioxoheptyl) 2-(bromomethyl)-2-methylmalonate #, bis(5,6-dioxoheptyl) 2-(bromomethyl)-2-methylpropanedioate, Bromomethyl (methyl)malonic acid bis(5,6-dioxoheptyl) ester
| Molecular Formula | C19H27BrO8 |
|---|---|
| Molecular Weight | 462.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 462.08893 |
| Heavy Atoms | 28 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 60004-37-7 |
|---|---|
| SMILES | CC(=O)C(=O)CCCCOC(=O)C(C)(CBr)C(=O)OCCCCC(=O)C(=O)C |
| InChIKey | PUYDNGVSWHAEKE-UHFFFAOYSA-N |
Product Overview
Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester (CAS 60004-37-7), with molecular formula C19H27BrO8 and molecular weight 462.09 g/mol. IUPAC: bis(5,6-dioxoheptyl) 2-(bromomethyl)-2-methylpropanedioate.
Chemical Property Profile of Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester
Property Insights of Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester. Following Lipinski's Rule of Five, Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester 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 Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester?
The CAS number of Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester is 60004-37-7.
What is the molecular formula of Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester?
The molecular formula of Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester is C19H27BrO8.
What is the molecular weight of Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester?
The molecular weight of Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester is 462.09 g/mol.
Where can I buy Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester?
You can request a quote for Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.