((3-Chloropropoxy)methyl)benzene
TL;DR: ((3-Chloropropoxy)methyl)benzene (CAS 26420-79-1) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropropoxymethylbenzene
Also Known As: ((3-Chloropropoxy)methyl)benzene, 3-chloropropoxymethylbenzene, 1-(BENZYLOXY)-3-CHLOROPROPANE, [(3-chloropropoxy)methyl]benzene, benzyl 3-chloropropyl ether
| Molecular Formula | C10H13ClO |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.06549 |
| Heavy Atoms | 12 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 26420-79-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COCCCCl |
| InChIKey | XYQPOKBAQDQMQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((3-Chloropropoxy)methyl)benzene (CAS 26420-79-1), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: 3-chloropropoxymethylbenzene.
Chemical Property Profile of ((3-Chloropropoxy)methyl)benzene
Property Insights of ((3-Chloropropoxy)methyl)benzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((3-Chloropropoxy)methyl)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, ((3-Chloropropoxy)methyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((3-Chloropropoxy)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 ((3-Chloropropoxy)methyl)benzene?
The CAS number of ((3-Chloropropoxy)methyl)benzene is 26420-79-1.
What is the molecular formula of ((3-Chloropropoxy)methyl)benzene?
The molecular formula of ((3-Chloropropoxy)methyl)benzene is C10H13ClO.
What is the molecular weight of ((3-Chloropropoxy)methyl)benzene?
The molecular weight of ((3-Chloropropoxy)methyl)benzene is 184.07 g/mol.
Where can I buy ((3-Chloropropoxy)methyl)benzene?
You can request a quote for ((3-Chloropropoxy)methyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((3-Chloropropoxy)methyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for ((3-Chloropropoxy)methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.