溴二氯乙酸
TL;DR: 溴二氯乙酸 (CAS 71133-14-7) is a chemical compound with molecular formula C2HBrCl2O2 and molecular weight 205.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴二氯乙酸
2-bromo-2,2-dichloroacetic acid
Also Known As: Bromodichloroacetic acid, 2-bromo-2,2-dichloroacetic acid, Bromodichloroacetate, Dichlorobromoacetic acid, BDCAA
| Molecular Formula | C2HBrCl2O2 |
|---|---|
| Molecular Weight | 205.85 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.8537 |
| Heavy Atoms | 7 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 71133-14-7 |
|---|---|
| SMILES | C(=O)(C(Cl)(Cl)Br)O |
| InChIKey | XSWVFEQKZFUULO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴二氯乙酸 (CAS 71133-14-7), with molecular formula C2HBrCl2O2 and molecular weight 205.85 g/mol. IUPAC: 2-bromo-2,2-dichloroacetic acid.
Chemical Property Profile of 溴二氯乙酸
Property Insights of 溴二氯乙酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴二氯乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 溴二氯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴二氯乙酸 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 溴二氯乙酸?
The CAS number of 溴二氯乙酸 is 71133-14-7.
What is the molecular formula of 溴二氯乙酸?
The molecular formula of 溴二氯乙酸 is C2HBrCl2O2.
What is the molecular weight of 溴二氯乙酸?
The molecular weight of 溴二氯乙酸 is 205.85 g/mol.
Where can I buy 溴二氯乙酸?
You can request a quote for 溴二氯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴二氯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 溴二氯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.