1-Bromo-4-heptylbenzene
TL;DR: 1-Bromo-4-heptylbenzene (CAS 76287-49-5) is a chemical compound with molecular formula C13H19Br and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-heptylbenzene
Also Known As: 1-Bromo-4-heptylbenzene, 1-Bromo-4-n-heptylbenzene, 1-(4-bromophenyl)heptane, 4-Heptylbromobenzene, 4-bromo-1-heptylbenzene
| Molecular Formula | C13H19Br |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 4.962 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.06702 |
| Heavy Atoms | 14 |
| Complexity | 237.9174 |
Chemical Identifiers
| CAS Number | 76287-49-5 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)Br |
Product Overview
1-Bromo-4-heptylbenzene (CAS 76287-49-5), with molecular formula C13H19Br and molecular weight 254.07 g/mol. IUPAC: 1-bromo-4-heptylbenzene.
Chemical Property Profile of 1-Bromo-4-heptylbenzene
Property Insights of 1-Bromo-4-heptylbenzene
The XLogP value of 4.962 indicates that 1-Bromo-4-heptylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-4-heptylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-heptylbenzene has 0 hydrogen bond donor(s) and 0 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-Bromo-4-heptylbenzene?
The CAS number of 1-Bromo-4-heptylbenzene is 76287-49-5.
What is the molecular formula of 1-Bromo-4-heptylbenzene?
The molecular formula of 1-Bromo-4-heptylbenzene is C13H19Br.
What is the molecular weight of 1-Bromo-4-heptylbenzene?
The molecular weight of 1-Bromo-4-heptylbenzene is 254.07 g/mol.
Where can I buy 1-Bromo-4-heptylbenzene?
You can request a quote for 1-Bromo-4-heptylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-heptylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-heptylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.