Acetic acid, dibromo, 1-methylethyl ester
TL;DR: Acetic acid, dibromo, 1-methylethyl ester (CAS 90380-58-8) is a chemical compound with molecular formula C5H8Br2O2 and molecular weight 257.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,2-dibromoacetate
Also Known As: propan-2-yl 2,2-dibromoacetate, Propan-2-yl dibromoacetate, isopropyl 2,2-dibromoacetate, Acetic acid, dibromo, 1-methylethyl ester, Dibromoacetic acid isopropyl ester
| Molecular Formula | C5H8Br2O2 |
|---|---|
| Molecular Weight | 257.89 g/mol |
| LogP | 2.0539 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.8891 |
| Heavy Atoms | 9 |
| Complexity | 101.13112 |
Chemical Identifiers
| CAS Number | 90380-58-8 |
|---|---|
| SMILES | CC(C)OC(=O)C(Br)Br |
Product Overview
Acetic acid, dibromo, 1-methylethyl ester (CAS 90380-58-8), with molecular formula C5H8Br2O2 and molecular weight 257.89 g/mol. IUPAC: propan-2-yl 2,2-dibromoacetate.
Chemical Property Profile of Acetic acid, dibromo, 1-methylethyl ester
Property Insights of Acetic acid, dibromo, 1-methylethyl ester
The XLogP value of 2.0539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, dibromo, 1-methylethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, dibromo, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, dibromo, 1-methylethyl 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
Frequently Asked Questions
What is the CAS number of Acetic acid, dibromo, 1-methylethyl ester?
The CAS number of Acetic acid, dibromo, 1-methylethyl ester is 90380-58-8.
What is the molecular formula of Acetic acid, dibromo, 1-methylethyl ester?
The molecular formula of Acetic acid, dibromo, 1-methylethyl ester is C5H8Br2O2.
What is the molecular weight of Acetic acid, dibromo, 1-methylethyl ester?
The molecular weight of Acetic acid, dibromo, 1-methylethyl ester is 257.89 g/mol.
Where can I buy Acetic acid, dibromo, 1-methylethyl ester?
You can request a quote for Acetic acid, dibromo, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, dibromo, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, dibromo, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.