4-(3-Chloro-1-(1-methylethoxy)propyl)toluene
TL;DR: 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene (CAS 71172-61-7) is a chemical compound with molecular formula C13H19ClO and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-1-propan-2-yloxypropyl)-4-methylbenzene
Also Known As: 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene, 4-[3-chloro-1- propyl]toluene, 4-[3-CHLORO-1-(1-METHYLETHOXY)PROPYL]TOLUENE, 3-Isopropyloxy-3-(p-tolyl)propyl chloride, 1-[3-Chloro-1-(1-methylethoxy)propyl]-4-methylbenzene
| Molecular Formula | C13H19ClO |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.11244 |
| Heavy Atoms | 15 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 71172-61-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CCCl)OC(C)C |
| InChIKey | DZTPRCOFHITSFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Chloro-1-(1-methylethoxy)propyl)toluene (CAS 71172-61-7), with molecular formula C13H19ClO and molecular weight 226.11 g/mol. IUPAC: 1-(3-chloro-1-propan-2-yloxypropyl)-4-methylbenzene.
Chemical Property Profile of 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene
Property Insights of 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene
The XLogP value of 3.7 indicates that 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene 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 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene?
The CAS number of 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene is 71172-61-7.
What is the molecular formula of 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene?
The molecular formula of 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene is C13H19ClO.
What is the molecular weight of 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene?
The molecular weight of 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene is 226.11 g/mol.
Where can I buy 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene?
You can request a quote for 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.