1-(3-Chloro-1-methoxypropyl)-4-methylbenzene
TL;DR: 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene (CAS 6968-70-3) is a chemical compound with molecular formula C11H15ClO and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-1-methoxypropyl)-4-methylbenzene
Also Known As: 4-(3-Chloro-1-methoxypropyl)toluene, 1-(3-chloro-1-methoxypropyl)-4-methylbenzene, 3-Methoxy-3-(4-Tolyl)-Propyl Chloride, 3-methoxy-3-(p-tolyl)-1-chloropropane, Benzene, 1-(3-chloro-1-methoxypropyl)-4-methyl-
| Molecular Formula | C11H15ClO |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.08115 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 6968-70-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CCCl)OC |
| InChIKey | BRGBFUVDFKKJQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Chloro-1-methoxypropyl)-4-methylbenzene (CAS 6968-70-3), with molecular formula C11H15ClO and molecular weight 198.08 g/mol. IUPAC: 1-(3-chloro-1-methoxypropyl)-4-methylbenzene.
Chemical Property Profile of 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene
Property Insights of 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene 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-Chloro-1-methoxypropyl)-4-methylbenzene?
The CAS number of 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene is 6968-70-3.
What is the molecular formula of 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene?
The molecular formula of 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene is C11H15ClO.
What is the molecular weight of 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene?
The molecular weight of 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene is 198.08 g/mol.
Where can I buy 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene?
You can request a quote for 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.