4-Bromobutyryl chloride
TL;DR: 4-Bromobutyryl chloride (CAS 927-58-2) is a chemical compound with molecular formula C4H6BrClO and molecular weight 183.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobutanoyl chloride
Also Known As: 4-Bromobutyryl chloride, 4-Bromobutanoyl chloride, Butanoyl chloride, 4-bromo-, 4-bromobutyrylchloride, Undecan-6-one
| Molecular Formula | C4H6BrClO |
|---|---|
| Molecular Weight | 183.93 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.92906 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 927-58-2 |
|---|---|
| SMILES | C(CC(=O)Cl)CBr |
| InChIKey | LRTRXDSAJLSRTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromobutyryl chloride (CAS 927-58-2), with molecular formula C4H6BrClO and molecular weight 183.93 g/mol. IUPAC: 4-bromobutanoyl chloride.
Chemical Property Profile of 4-Bromobutyryl chloride
Property Insights of 4-Bromobutyryl chloride
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromobutyryl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Bromobutyryl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobutyryl chloride 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 4-Bromobutyryl chloride?
The CAS number of 4-Bromobutyryl chloride is 927-58-2.
What is the molecular formula of 4-Bromobutyryl chloride?
The molecular formula of 4-Bromobutyryl chloride is C4H6BrClO.
What is the molecular weight of 4-Bromobutyryl chloride?
The molecular weight of 4-Bromobutyryl chloride is 183.93 g/mol.
Where can I buy 4-Bromobutyryl chloride?
You can request a quote for 4-Bromobutyryl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobutyryl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobutyryl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.