Dibromochloroacetic acid
TL;DR: Dibromochloroacetic acid (CAS 5278-95-5) is a chemical compound with molecular formula C2HBr2ClO2 and molecular weight 249.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromo-2-chloroacetic acid
Also Known As: Dibromochloroacetic acid, Chlorodibromoacetic acid, Acetic acid, dibromochloro-, dibromo(chloro)acetic acid, 2,2-dibromo-2-chloroacetic acid
| Molecular Formula | C2HBr2ClO2 |
|---|---|
| Molecular Weight | 249.80 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.80113 |
| Heavy Atoms | 7 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 5278-95-5 |
|---|---|
| SMILES | C(=O)(C(Cl)(Br)Br)O |
| InChIKey | UCZDDMGNCJJAHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibromochloroacetic acid (CAS 5278-95-5), with molecular formula C2HBr2ClO2 and molecular weight 249.80 g/mol. IUPAC: 2,2-dibromo-2-chloroacetic acid.
Chemical Property Profile of Dibromochloroacetic acid
Property Insights of Dibromochloroacetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibromochloroacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Dibromochloroacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibromochloroacetic acid 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 Dibromochloroacetic acid?
The CAS number of Dibromochloroacetic acid is 5278-95-5.
What is the molecular formula of Dibromochloroacetic acid?
The molecular formula of Dibromochloroacetic acid is C2HBr2ClO2.
What is the molecular weight of Dibromochloroacetic acid?
The molecular weight of Dibromochloroacetic acid is 249.80 g/mol.
Where can I buy Dibromochloroacetic acid?
You can request a quote for Dibromochloroacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromochloroacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Dibromochloroacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.