1,6-Bis(4-bromophenyl)hexane-1,6-dione
TL;DR: 1,6-Bis(4-bromophenyl)hexane-1,6-dione (CAS 101735-51-7) is a chemical compound with molecular formula C18H16Br2O2 and molecular weight 421.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-bis(4-bromophenyl)hexane-1,6-dione
Also Known As: 1,6-bis(4-bromophenyl)hexane-1,6-dione, 1,6-Bis(4-bromophenyl)-1,6-hexanedione, 1,6-Hexanedione, 1,6-bis(4-bromophenyl)-, J1.025.669K
| Molecular Formula | C18H16Br2O2 |
|---|---|
| Molecular Weight | 421.95 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.9517 |
| Heavy Atoms | 22 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 101735-51-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCCCC(=O)C2=CC=C(C=C2)Br)Br |
| InChIKey | RBJLRVJENHMBEB-UHFFFAOYSA-N |
Product Overview
1,6-Bis(4-bromophenyl)hexane-1,6-dione (CAS 101735-51-7), with molecular formula C18H16Br2O2 and molecular weight 421.95 g/mol. IUPAC: 1,6-bis(4-bromophenyl)hexane-1,6-dione.
Chemical Property Profile of 1,6-Bis(4-bromophenyl)hexane-1,6-dione
Property Insights of 1,6-Bis(4-bromophenyl)hexane-1,6-dione
The XLogP value of 4.9 indicates that 1,6-Bis(4-bromophenyl)hexane-1,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,6-Bis(4-bromophenyl)hexane-1,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Bis(4-bromophenyl)hexane-1,6-dione has 0 hydrogen bond donor(s) and 2 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 1,6-Bis(4-bromophenyl)hexane-1,6-dione?
The CAS number of 1,6-Bis(4-bromophenyl)hexane-1,6-dione is 101735-51-7.
What is the molecular formula of 1,6-Bis(4-bromophenyl)hexane-1,6-dione?
The molecular formula of 1,6-Bis(4-bromophenyl)hexane-1,6-dione is C18H16Br2O2.
What is the molecular weight of 1,6-Bis(4-bromophenyl)hexane-1,6-dione?
The molecular weight of 1,6-Bis(4-bromophenyl)hexane-1,6-dione is 421.95 g/mol.
Where can I buy 1,6-Bis(4-bromophenyl)hexane-1,6-dione?
You can request a quote for 1,6-Bis(4-bromophenyl)hexane-1,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Bis(4-bromophenyl)hexane-1,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Bis(4-bromophenyl)hexane-1,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.