Acetic acid, dibromo, 1-methylpropyl ester
TL;DR: Acetic acid, dibromo, 1-methylpropyl ester (CAS 90380-59-9) is a chemical compound with molecular formula C6H10Br2O2 and molecular weight 271.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2,2-dibromoacetate
Also Known As: Butan-2-yl dibromoacetate, butan-2-yl 2,2-dibromoacetate, Acetic acid, dibromo, 1-methylpropyl ester, Acetic acid, dibromo-, 1-methylpropyl ester, Acetic acid,dibromo,1-methylpropyl ester
| Molecular Formula | C6H10Br2O2 |
|---|---|
| Molecular Weight | 271.90 g/mol |
| LogP | 2.444 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.90475 |
| Heavy Atoms | 10 |
| Complexity | 114.315445 |
Chemical Identifiers
| CAS Number | 90380-59-9 |
|---|---|
| SMILES | CCC(C)OC(=O)C(Br)Br |
Product Overview
Acetic acid, dibromo, 1-methylpropyl ester (CAS 90380-59-9), with molecular formula C6H10Br2O2 and molecular weight 271.90 g/mol. IUPAC: butan-2-yl 2,2-dibromoacetate.
Chemical Property Profile of Acetic acid, dibromo, 1-methylpropyl ester
Property Insights of Acetic acid, dibromo, 1-methylpropyl ester
The XLogP value of 2.444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, dibromo, 1-methylpropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, dibromo, 1-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, dibromo, 1-methylpropyl 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-methylpropyl ester?
The CAS number of Acetic acid, dibromo, 1-methylpropyl ester is 90380-59-9.
What is the molecular formula of Acetic acid, dibromo, 1-methylpropyl ester?
The molecular formula of Acetic acid, dibromo, 1-methylpropyl ester is C6H10Br2O2.
What is the molecular weight of Acetic acid, dibromo, 1-methylpropyl ester?
The molecular weight of Acetic acid, dibromo, 1-methylpropyl ester is 271.90 g/mol.
Where can I buy Acetic acid, dibromo, 1-methylpropyl ester?
You can request a quote for Acetic acid, dibromo, 1-methylpropyl 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-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, dibromo, 1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.