Butanoic acid, 4-bromo-3-oxo-
TL;DR: Butanoic acid, 4-bromo-3-oxo- (CAS 27807-85-8) is a chemical compound with molecular formula C4H5BrO3 and molecular weight 179.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-oxobutanoic acid
Also Known As: 4-bromo-3-oxobutanoic acid, bromoacetoacetic acid, Bromoacetyl acetic acid, 4-Bromo-3-oxo-butyric acid, butanoic acid, 4-bromo-3-oxo-
| Molecular Formula | C4H5BrO3 |
|---|---|
| Molecular Weight | 179.94 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.94221 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 27807-85-8 |
|---|---|
| SMILES | C(C(=O)CBr)C(=O)O |
| InChIKey | PLMCCOPFYJURPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 4-bromo-3-oxo- (CAS 27807-85-8), with molecular formula C4H5BrO3 and molecular weight 179.94 g/mol. IUPAC: 4-bromo-3-oxobutanoic acid.
Chemical Property Profile of Butanoic acid, 4-bromo-3-oxo-
Property Insights of Butanoic acid, 4-bromo-3-oxo-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-bromo-3-oxo-. With a topological polar surface area (TPSA) of 54.4 Ų, Butanoic acid, 4-bromo-3-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-bromo-3-oxo- 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 Butanoic acid, 4-bromo-3-oxo-?
The CAS number of Butanoic acid, 4-bromo-3-oxo- is 27807-85-8.
What is the molecular formula of Butanoic acid, 4-bromo-3-oxo-?
The molecular formula of Butanoic acid, 4-bromo-3-oxo- is C4H5BrO3.
What is the molecular weight of Butanoic acid, 4-bromo-3-oxo-?
The molecular weight of Butanoic acid, 4-bromo-3-oxo- is 179.94 g/mol.
Where can I buy Butanoic acid, 4-bromo-3-oxo-?
You can request a quote for Butanoic acid, 4-bromo-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-bromo-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-bromo-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.