溴代丙酮酸
TL;DR: 溴代丙酮酸 (CAS 1113-59-3) is a chemical compound with molecular formula C3H3BrO3 and molecular weight 165.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴代丙酮酸
3-bromo-2-oxopropanoic acid
Also Known As: bromopyruvic acid, 3-bromopyruvic acid, bromopyruvate, 3-bromopyruvate, 3-bromo-2-oxopropanoic acid
| Molecular Formula | C3H3BrO3 |
|---|---|
| Molecular Weight | 165.93 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.92656 |
| Heavy Atoms | 7 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 1113-59-3 |
|---|---|
| SMILES | C(C(=O)C(=O)O)Br |
| InChIKey | PRRZDZJYSJLDBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴代丙酮酸 (CAS 1113-59-3), with molecular formula C3H3BrO3 and molecular weight 165.93 g/mol. IUPAC: 3-bromo-2-oxopropanoic acid.
Chemical Property Profile of 溴代丙酮酸
Property Insights of 溴代丙酮酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴代丙酮酸. With a topological polar surface area (TPSA) of 54.4 Ų, 溴代丙酮酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴代丙酮酸 has 1 hydrogen bond donor(s) and 3 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 溴代丙酮酸?
The CAS number of 溴代丙酮酸 is 1113-59-3.
What is the molecular formula of 溴代丙酮酸?
The molecular formula of 溴代丙酮酸 is C3H3BrO3.
What is the molecular weight of 溴代丙酮酸?
The molecular weight of 溴代丙酮酸 is 165.93 g/mol.
Where can I buy 溴代丙酮酸?
You can request a quote for 溴代丙酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴代丙酮酸?
Yes, KEHONG BIO provides custom synthesis services for 溴代丙酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.