Valeric acid, 2,2-dibromo-, ethyl ester
TL;DR: Valeric acid, 2,2-dibromo-, ethyl ester (CAS 63979-44-2) is a chemical compound with molecular formula C7H12Br2O2 and molecular weight 285.9204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2-dibromopentanoate
Also Known As: ethyl 2,2-dibromopentanoate, Valeric acid, 2,2-dibromo-, ethyl ester, alpha,alpha-Dibromovaleric acid ethyl ester, 2,2-Dibromovalericacidethylester, 2,2-Dibromovaleric acid ethyl ester
Technical Specifications
| Molecular Formula | C7H12Br2O2 |
| Molecular Weight | 285.9204 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.91837 Da |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
| SMILES | CCCC(C(=O)OCC)(Br)Br |
| InChIKey | JUUDRNVCVXZSCI-UHFFFAOYSA-N |
Chemical Property Profile of Valeric acid, 2,2-dibromo-, ethyl ester
Property Insights of Valeric acid, 2,2-dibromo-, ethyl ester
The XLogP value of 3.2 indicates that Valeric acid, 2,2-dibromo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Valeric acid, 2,2-dibromo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeric acid, 2,2-dibromo-, ethyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Valeric acid, 2,2-dibromo-, ethyl ester?
The CAS number of Valeric acid, 2,2-dibromo-, ethyl ester is 63979-44-2.
What is the molecular formula of Valeric acid, 2,2-dibromo-, ethyl ester?
The molecular formula of Valeric acid, 2,2-dibromo-, ethyl ester is C7H12Br2O2.
What is the molecular weight of Valeric acid, 2,2-dibromo-, ethyl ester?
The molecular weight of Valeric acid, 2,2-dibromo-, ethyl ester is 285.9204 g/mol.
Where can I buy Valeric acid, 2,2-dibromo-, ethyl ester?
You can request a quote for Valeric acid, 2,2-dibromo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Valeric acid, 2,2-dibromo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Valeric acid, 2,2-dibromo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.