1-(Bromomethyl)-4-(dibromomethyl)benzene
TL;DR: 1-(Bromomethyl)-4-(dibromomethyl)benzene (CAS 80413-59-8) is a chemical compound with molecular formula C8H7Br3 and molecular weight 339.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-4-(dibromomethyl)benzene
Also Known As: Plerixafor Impurity 9, Plerixafor Impurity 10, 1-(bromomethyl)-4-(dibromomethyl)benzene, 1-(Dibromomethyl)-4-(bromomethyl)benzene, Acetamide,N,N-diethyl-2-(ethylphenylphosphinyl)
| Molecular Formula | C8H7Br3 |
|---|---|
| Molecular Weight | 339.81 g/mol |
| LogP | 4.3699 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.80978 |
| Heavy Atoms | 11 |
| Complexity | 215.2837 |
Chemical Identifiers
| CAS Number | 80413-59-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CBr)C(Br)Br |
Product Overview
1-(Bromomethyl)-4-(dibromomethyl)benzene (CAS 80413-59-8), with molecular formula C8H7Br3 and molecular weight 339.81 g/mol. IUPAC: 1-(bromomethyl)-4-(dibromomethyl)benzene.
Chemical Property Profile of 1-(Bromomethyl)-4-(dibromomethyl)benzene
Property Insights of 1-(Bromomethyl)-4-(dibromomethyl)benzene
The XLogP value of 4.3699 indicates that 1-(Bromomethyl)-4-(dibromomethyl)benzene 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-(Bromomethyl)-4-(dibromomethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)-4-(dibromomethyl)benzene 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-(Bromomethyl)-4-(dibromomethyl)benzene?
The CAS number of 1-(Bromomethyl)-4-(dibromomethyl)benzene is 80413-59-8.
What is the molecular formula of 1-(Bromomethyl)-4-(dibromomethyl)benzene?
The molecular formula of 1-(Bromomethyl)-4-(dibromomethyl)benzene is C8H7Br3.
What is the molecular weight of 1-(Bromomethyl)-4-(dibromomethyl)benzene?
The molecular weight of 1-(Bromomethyl)-4-(dibromomethyl)benzene is 339.81 g/mol.
Where can I buy 1-(Bromomethyl)-4-(dibromomethyl)benzene?
You can request a quote for 1-(Bromomethyl)-4-(dibromomethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromomethyl)-4-(dibromomethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)-4-(dibromomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.