溴乙酸
TL;DR: 溴乙酸 (CAS 79-08-3) is a chemical compound with molecular formula C2H3BrO2 and molecular weight 137.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴乙酸
2-bromoacetic acid
Also Known As: BROMOACETIC ACID, 2-Bromoacetic acid, Monobromoacetic acid, Bromoethanoic acid, Acetic acid, bromo-
| Molecular Formula | C2H3BrO2 |
|---|---|
| Molecular Weight | 137.93 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.93164 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Melting Point | 50 |
| Boiling Point | 208 |
| Density | Density: 1.9335 at 50 °C |
| Solubility | 1750000 |
| Flash Point | 113 °C (112.8 °C) - closed cup |
| Vapor Pressure | 0.11 [mmHg] |
| Refractive Index | 1.4804 at 50 °C |
Chemical Identifiers
| CAS Number | 79-08-3 |
|---|---|
| SMILES | C(C(=O)O)Br |
| InChIKey | KDPAWGWELVVRCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴乙酸 (CAS 79-08-3), with molecular formula C2H3BrO2 and molecular weight 137.93 g/mol. IUPAC: 2-bromoacetic acid.
Chemical Property Profile of 溴乙酸
Property Insights of 溴乙酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 溴乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴乙酸 has 1 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?
The CAS number of 溴乙酸 is 79-08-3.
What is the molecular formula of 溴乙酸?
The molecular formula of 溴乙酸 is C2H3BrO2.
What is the molecular weight of 溴乙酸?
The molecular weight of 溴乙酸 is 137.93 g/mol.
Where can I buy 溴乙酸?
You can request a quote for 溴乙酸 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?
Yes, KEHONG BIO provides custom synthesis services for 溴乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.