(((1,3-Dibromopropan-2-yl)oxy)methyl)benzene
TL;DR: (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene (CAS 35995-55-2) is a chemical compound with molecular formula C10H12Br2O and molecular weight 305.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibromopropan-2-yloxymethylbenzene
Also Known As: Benzene, [[2-bromo-1-(bromomethyl)ethoxy]methyl]-, 1,3-dibromopropan-2-yloxymethylbenzene, (((1,3-dibromopropan-2-yl)oxy)methyl)benzene, ((1,3-dibromopropan-2-yloxy)methyl)benzene, Ether, benzyl 2-bromo-1-(bromomethyl)ethyl
| Molecular Formula | C10H12Br2O |
|---|---|
| Molecular Weight | 305.93 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.92548 |
| Heavy Atoms | 13 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 35995-55-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(CBr)CBr |
| InChIKey | HVELAOQZAFXLRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(((1,3-Dibromopropan-2-yl)oxy)methyl)benzene (CAS 35995-55-2), with molecular formula C10H12Br2O and molecular weight 305.93 g/mol. IUPAC: 1,3-dibromopropan-2-yloxymethylbenzene.
Chemical Property Profile of (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene
Property Insights of (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene
The XLogP value of 3.2 indicates that (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene 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 (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene?
The CAS number of (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene is 35995-55-2.
What is the molecular formula of (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene?
The molecular formula of (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene is C10H12Br2O.
What is the molecular weight of (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene?
The molecular weight of (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene is 305.93 g/mol.
Where can I buy (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene?
You can request a quote for (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.