溴乙酸甲酯
TL;DR: 溴乙酸甲酯 (CAS 96-32-2) is a chemical compound with molecular formula C3H5BrO2 and molecular weight 151.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴乙酸甲酯
methyl 2-bromoacetate
Also Known As: Methyl bromoacetate, methyl 2-bromoacetate, Bromoacetic acid methyl ester, Methyl monobromoacetate, Isocytosine
| Molecular Formula | C3H5BrO2 |
|---|---|
| Molecular Weight | 151.95 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.9473 |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
| Melting Point | Freezing point: -50 °C |
| Boiling Point | 141 °C |
| Density | 1.6350 g/cu cm at 20 °C |
| Solubility | Soluble in ethanol, ether, acetone, benzene |
| Refractive Index | 1.4520 at 20 °C |
Chemical Identifiers
| CAS Number | 96-32-2 |
|---|---|
| SMILES | COC(=O)CBr |
| InChIKey | YDCHPLOFQATIDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴乙酸甲酯 (CAS 96-32-2), with molecular formula C3H5BrO2 and molecular weight 151.95 g/mol. IUPAC: methyl 2-bromoacetate.
Chemical Property Profile of 溴乙酸甲酯
Property Insights of 溴乙酸甲酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴乙酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 溴乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴乙酸甲酯 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 溴乙酸甲酯?
The CAS number of 溴乙酸甲酯 is 96-32-2.
What is the molecular formula of 溴乙酸甲酯?
The molecular formula of 溴乙酸甲酯 is C3H5BrO2.
What is the molecular weight of 溴乙酸甲酯?
The molecular weight of 溴乙酸甲酯 is 151.95 g/mol.
Where can I buy 溴乙酸甲酯?
You can request a quote for 溴乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 溴乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.