Dodecyl 2-bromobutanoate
TL;DR: Dodecyl 2-bromobutanoate (CAS 86711-87-7) is a chemical compound with molecular formula C16H31BrO2 and molecular weight 334.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 2-bromobutanoate
Also Known As: Dodecyl 2-bromobutanoate, Butanoic acid,2-bromo-,dodecyl ester, Butanoic acid, 2-bromo-, dodecyl ester, RefChem:339493
| Molecular Formula | C16H31BrO2 |
|---|---|
| Molecular Weight | 334.15 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 334.15073 |
| Heavy Atoms | 19 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 86711-87-7 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C(CC)Br |
| InChIKey | NXCHIIAWZIHPAX-UHFFFAOYSA-N |
Product Overview
Dodecyl 2-bromobutanoate (CAS 86711-87-7), with molecular formula C16H31BrO2 and molecular weight 334.15 g/mol. IUPAC: dodecyl 2-bromobutanoate.
Chemical Property Profile of Dodecyl 2-bromobutanoate
Property Insights of Dodecyl 2-bromobutanoate
The XLogP value of 7.4 indicates that Dodecyl 2-bromobutanoate 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 2-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl 2-bromobutanoate 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 2-bromobutanoate?
The CAS number of Dodecyl 2-bromobutanoate is 86711-87-7.
What is the molecular formula of Dodecyl 2-bromobutanoate?
The molecular formula of Dodecyl 2-bromobutanoate is C16H31BrO2.
What is the molecular weight of Dodecyl 2-bromobutanoate?
The molecular weight of Dodecyl 2-bromobutanoate is 334.15 g/mol.
Where can I buy Dodecyl 2-bromobutanoate?
You can request a quote for Dodecyl 2-bromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl 2-bromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl 2-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.