Butanoyl bromide, 3-methyl-
TL;DR: Butanoyl bromide, 3-methyl- (CAS 35447-68-8) is a chemical compound with molecular formula C5H9BrO and molecular weight 163.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutanoyl bromide
Also Known As: 3-methylbutanoyl bromide, Butanoyl bromide, 3-methyl-, isovaleryl bromide, 3-methyl-Butanoyl bromide, 3-Methylbutanoic acid bromide
| Molecular Formula | C5H9BrO |
|---|---|
| Molecular Weight | 163.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.98367 |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 35447-68-8 |
|---|---|
| SMILES | CC(C)CC(=O)Br |
| InChIKey | LBXKQIWKQYEXRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoyl bromide, 3-methyl- (CAS 35447-68-8), with molecular formula C5H9BrO and molecular weight 163.98 g/mol. IUPAC: 3-methylbutanoyl bromide.
Chemical Property Profile of Butanoyl bromide, 3-methyl-
Property Insights of Butanoyl bromide, 3-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoyl bromide, 3-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Butanoyl bromide, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoyl bromide, 3-methyl- has 0 hydrogen bond donor(s) and 1 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 Butanoyl bromide, 3-methyl-?
The CAS number of Butanoyl bromide, 3-methyl- is 35447-68-8.
What is the molecular formula of Butanoyl bromide, 3-methyl-?
The molecular formula of Butanoyl bromide, 3-methyl- is C5H9BrO.
What is the molecular weight of Butanoyl bromide, 3-methyl-?
The molecular weight of Butanoyl bromide, 3-methyl- is 163.98 g/mol.
Where can I buy Butanoyl bromide, 3-methyl-?
You can request a quote for Butanoyl bromide, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoyl bromide, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butanoyl bromide, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.