Benzene, 1-(3-bromopropoxy)-4-methyl-
TL;DR: Benzene, 1-(3-bromopropoxy)-4-methyl- (CAS 16929-24-1) is a chemical compound with molecular formula C10H13BrO and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromopropoxy)-4-methylbenzene
Also Known As: 1-(3-bromopropoxy)-4-methylbenzene, p-cresoxypropyl bromide, 4-Methylphenoxypropylbromide, Benzene, 1-(3-bromopropoxy)-4-methyl-, 1-Bromo-3-(4-methylphenoxy)propane
| Molecular Formula | C10H13BrO |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.01498 |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 16929-24-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCCBr |
| InChIKey | QEBSDQBQKRVQHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(3-bromopropoxy)-4-methyl- (CAS 16929-24-1), with molecular formula C10H13BrO and molecular weight 228.01 g/mol. IUPAC: 1-(3-bromopropoxy)-4-methylbenzene.
Chemical Property Profile of Benzene, 1-(3-bromopropoxy)-4-methyl-
Property Insights of Benzene, 1-(3-bromopropoxy)-4-methyl-
The XLogP value of 3.4 indicates that Benzene, 1-(3-bromopropoxy)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1-(3-bromopropoxy)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(3-bromopropoxy)-4-methyl- 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 Benzene, 1-(3-bromopropoxy)-4-methyl-?
The CAS number of Benzene, 1-(3-bromopropoxy)-4-methyl- is 16929-24-1.
What is the molecular formula of Benzene, 1-(3-bromopropoxy)-4-methyl-?
The molecular formula of Benzene, 1-(3-bromopropoxy)-4-methyl- is C10H13BrO.
What is the molecular weight of Benzene, 1-(3-bromopropoxy)-4-methyl-?
The molecular weight of Benzene, 1-(3-bromopropoxy)-4-methyl- is 228.01 g/mol.
Where can I buy Benzene, 1-(3-bromopropoxy)-4-methyl-?
You can request a quote for Benzene, 1-(3-bromopropoxy)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(3-bromopropoxy)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(3-bromopropoxy)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.