1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate
TL;DR: 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate (CAS 96980-66-4) is a chemical compound with molecular formula C15H27BrO4 and molecular weight 350.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate
Also Known As: Diethyl 2-(3-bromopropyl)-2-isopentylmalonate, Diethyl (3-bromopropyl)(3-methylbutyl)propanedioate, Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate, 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate, 653-652-9
| Molecular Formula | C15H27BrO4 |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | 3.7103 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 350.10928 |
| Heavy Atoms | 20 |
| Complexity | 284.24863 |
Chemical Identifiers
| CAS Number | 96980-66-4 |
|---|---|
| SMILES | CCOC(=O)C(CCCBr)(CCC(C)C)C(=O)OCC |
Product Overview
1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate (CAS 96980-66-4), with molecular formula C15H27BrO4 and molecular weight 350.11 g/mol. IUPAC: diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate
Property Insights of 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate
The XLogP value of 3.7103 indicates that 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate has 0 hydrogen bond donor(s) and 4 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 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate?
The CAS number of 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate is 96980-66-4.
What is the molecular formula of 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate?
The molecular formula of 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate is C15H27BrO4.
What is the molecular weight of 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate?
The molecular weight of 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate is 350.11 g/mol.
Where can I buy 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate?
You can request a quote for 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-(3-bromopropyl)-2-(3-methylbutyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.