1-Methylbutyl bromoacetate
TL;DR: 1-Methylbutyl bromoacetate (CAS 73448-66-5) is a chemical compound with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-2-yl 2-bromoacetate
Also Known As: 1-Methylbutyl bromoacetate, pentan-2-yl 2-bromoacetate, Pentan-2-yl bromoacetate, Bromoacetic acid, 2-pentyl ester, 1-Methylbutyl bromoacetate #
| Molecular Formula | C7H13BrO2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.00989 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 73448-66-5 |
|---|---|
| SMILES | CCCC(C)OC(=O)CBr |
| InChIKey | UFZOVZFMSBMLBZ-UHFFFAOYSA-N |
Product Overview
1-Methylbutyl bromoacetate (CAS 73448-66-5), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: pentan-2-yl 2-bromoacetate.
Chemical Property Profile of 1-Methylbutyl bromoacetate
Property Insights of 1-Methylbutyl bromoacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylbutyl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylbutyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylbutyl bromoacetate 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 1-Methylbutyl bromoacetate?
The CAS number of 1-Methylbutyl bromoacetate is 73448-66-5.
What is the molecular formula of 1-Methylbutyl bromoacetate?
The molecular formula of 1-Methylbutyl bromoacetate is C7H13BrO2.
What is the molecular weight of 1-Methylbutyl bromoacetate?
The molecular weight of 1-Methylbutyl bromoacetate is 208.01 g/mol.
Where can I buy 1-Methylbutyl bromoacetate?
You can request a quote for 1-Methylbutyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylbutyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylbutyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.