Dodecyl bromoacetate
TL;DR: Dodecyl bromoacetate (CAS 6975-01-5) is a chemical compound with molecular formula C14H27BrO2 and molecular weight 306.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 2-bromoacetate
Also Known As: Dodecyl bromoacetate, dodecyl 2-bromoacetate, Dodecyl bromoacetate #, Bromoacetic acid, dodecyl ester, Bromoacetic acid dodecyl ester
| Molecular Formula | C14H27BrO2 |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 306.11945 |
| Heavy Atoms | 17 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 6975-01-5 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CBr |
| InChIKey | QIPFGFYXERNTNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecyl bromoacetate (CAS 6975-01-5), with molecular formula C14H27BrO2 and molecular weight 306.12 g/mol. IUPAC: dodecyl 2-bromoacetate.
Chemical Property Profile of Dodecyl bromoacetate
Property Insights of Dodecyl bromoacetate
The XLogP value of 6.4 indicates that Dodecyl bromoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Dodecyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl bromoacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecyl bromoacetate?
The CAS number of Dodecyl bromoacetate is 6975-01-5.
What is the molecular formula of Dodecyl bromoacetate?
The molecular formula of Dodecyl bromoacetate is C14H27BrO2.
What is the molecular weight of Dodecyl bromoacetate?
The molecular weight of Dodecyl bromoacetate is 306.12 g/mol.
Where can I buy Dodecyl bromoacetate?
You can request a quote for Dodecyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.