(3-Chloro-1-(1-methylethoxy)propyl)benzene
TL;DR: (3-Chloro-1-(1-methylethoxy)propyl)benzene (CAS 6965-76-0) is a chemical compound with molecular formula C12H17ClO and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1-propan-2-yloxypropyl)benzene
Also Known As: (3-chloro-1-isopropoxypropyl)benzene, starbld0012646, [3-chloro-1- propyl]benzene, [3-Chloro-1-(1-methylethoxy)propyl]benzene, 3-Isopropoxy-3-Phenylpropyl Chloride
| Molecular Formula | C12H17ClO |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.09679 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 6965-76-0 |
|---|---|
| SMILES | CC(C)OC(CCCl)C1=CC=CC=C1 |
| InChIKey | TZGSPUYRMKYMEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Chloro-1-(1-methylethoxy)propyl)benzene (CAS 6965-76-0), with molecular formula C12H17ClO and molecular weight 212.10 g/mol. IUPAC: (3-chloro-1-propan-2-yloxypropyl)benzene.
Chemical Property Profile of (3-Chloro-1-(1-methylethoxy)propyl)benzene
Property Insights of (3-Chloro-1-(1-methylethoxy)propyl)benzene
The XLogP value of 3.4 indicates that (3-Chloro-1-(1-methylethoxy)propyl)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, (3-Chloro-1-(1-methylethoxy)propyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-1-(1-methylethoxy)propyl)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-Chloro-1-(1-methylethoxy)propyl)benzene?
The CAS number of (3-Chloro-1-(1-methylethoxy)propyl)benzene is 6965-76-0.
What is the molecular formula of (3-Chloro-1-(1-methylethoxy)propyl)benzene?
The molecular formula of (3-Chloro-1-(1-methylethoxy)propyl)benzene is C12H17ClO.
What is the molecular weight of (3-Chloro-1-(1-methylethoxy)propyl)benzene?
The molecular weight of (3-Chloro-1-(1-methylethoxy)propyl)benzene is 212.10 g/mol.
Where can I buy (3-Chloro-1-(1-methylethoxy)propyl)benzene?
You can request a quote for (3-Chloro-1-(1-methylethoxy)propyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-1-(1-methylethoxy)propyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-1-(1-methylethoxy)propyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.