3-Bromo-4-(4-chlorophenyl)butan-2-one
TL;DR: 3-Bromo-4-(4-chlorophenyl)butan-2-one (CAS 75815-31-5) is a chemical compound with molecular formula C10H10BrClO and molecular weight 259.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-(4-chlorophenyl)butan-2-one
Also Known As: 3-bromo-4-(4-chlorophenyl)butan-2-one, 3-bromo-4-(4-chlorophenyl)-2-butanone, 4-(4-Chlorophenyl)-3-bromo-2-butanone, J3.408.820I
| Molecular Formula | C10H10BrClO |
|---|---|
| Molecular Weight | 259.96 g/mol |
| LogP | 3.235 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.96036 |
| Heavy Atoms | 13 |
| Complexity | 294.29797 |
Chemical Identifiers
| CAS Number | 75815-31-5 |
|---|---|
| SMILES | CC(=O)C(CC1=CC=C(C=C1)Cl)Br |
Product Overview
3-Bromo-4-(4-chlorophenyl)butan-2-one (CAS 75815-31-5), with molecular formula C10H10BrClO and molecular weight 259.96 g/mol. IUPAC: 3-bromo-4-(4-chlorophenyl)butan-2-one.
Chemical Property Profile of 3-Bromo-4-(4-chlorophenyl)butan-2-one
Property Insights of 3-Bromo-4-(4-chlorophenyl)butan-2-one
The XLogP value of 3.235 indicates that 3-Bromo-4-(4-chlorophenyl)butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Bromo-4-(4-chlorophenyl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-(4-chlorophenyl)butan-2-one 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 3-Bromo-4-(4-chlorophenyl)butan-2-one?
The CAS number of 3-Bromo-4-(4-chlorophenyl)butan-2-one is 75815-31-5.
What is the molecular formula of 3-Bromo-4-(4-chlorophenyl)butan-2-one?
The molecular formula of 3-Bromo-4-(4-chlorophenyl)butan-2-one is C10H10BrClO.
What is the molecular weight of 3-Bromo-4-(4-chlorophenyl)butan-2-one?
The molecular weight of 3-Bromo-4-(4-chlorophenyl)butan-2-one is 259.96 g/mol.
Where can I buy 3-Bromo-4-(4-chlorophenyl)butan-2-one?
You can request a quote for 3-Bromo-4-(4-chlorophenyl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-(4-chlorophenyl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-(4-chlorophenyl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.