二溴乙酸
TL;DR: 二溴乙酸 (CAS 631-64-1) is a chemical compound with molecular formula C2H2Br2O2 and molecular weight 215.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二溴乙酸
2,2-dibromoacetic acid
Also Known As: DIBROMOACETIC ACID, 2,2-dibromoacetic acid, Dibromoacetate, Dibromoaceticacid, Acetic acid, dibromo-
| Molecular Formula | C2H2Br2O2 |
|---|---|
| Molecular Weight | 215.84 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.8401 |
| Heavy Atoms | 6 |
| Complexity | 60.0 |
| Melting Point | 48 °C |
| Boiling Point | 232-234 °C (decomposition) |
| Solubility | Very soluble in ethanol; soluble in diethyl ether |
| Flash Point | 112.8 °C (113 °C) (closed cup) |
| Vapor Pressure | 0.02 [mmHg] |
Chemical Identifiers
| CAS Number | 631-64-1 |
|---|---|
| SMILES | C(C(=O)O)(Br)Br |
| InChIKey | SIEILFNCEFEENQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二溴乙酸 (CAS 631-64-1), with molecular formula C2H2Br2O2 and molecular weight 215.84 g/mol. IUPAC: 2,2-dibromoacetic acid.
Chemical Property Profile of 二溴乙酸
Property Insights of 二溴乙酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二溴乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 二溴乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二溴乙酸 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 二溴乙酸?
The CAS number of 二溴乙酸 is 631-64-1.
What is the molecular formula of 二溴乙酸?
The molecular formula of 二溴乙酸 is C2H2Br2O2.
What is the molecular weight of 二溴乙酸?
The molecular weight of 二溴乙酸 is 215.84 g/mol.
Where can I buy 二溴乙酸?
You can request a quote for 二溴乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二溴乙酸?
Yes, KEHONG BIO provides custom synthesis services for 二溴乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.