4-(3-Chloro-1-ethoxypropyl)toluene
TL;DR: 4-(3-Chloro-1-ethoxypropyl)toluene (CAS 83949-36-4) 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.
1-(3-chloro-1-ethoxypropyl)-4-methylbenzene
Also Known As: 4-(3-Chloro-1-ethoxypropyl)toluene, 1-(3-chloro-1-ethoxypropyl)-4-methylbenzene, Benzene,1-(3-chloro-1-ethoxypropyl)-4-methyl-, EINECS 281-395-9
| Molecular Formula | C12H17ClO |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 3.3 |
| 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 | 83949-36-4 |
|---|---|
| SMILES | CCOC(CCCl)C1=CC=C(C=C1)C |
| InChIKey | NDNQMUPOOPOMJK-UHFFFAOYSA-N |
Product Overview
4-(3-Chloro-1-ethoxypropyl)toluene (CAS 83949-36-4), with molecular formula C12H17ClO and molecular weight 212.10 g/mol. IUPAC: 1-(3-chloro-1-ethoxypropyl)-4-methylbenzene.
Chemical Property Profile of 4-(3-Chloro-1-ethoxypropyl)toluene
Property Insights of 4-(3-Chloro-1-ethoxypropyl)toluene
The XLogP value of 3.3 indicates that 4-(3-Chloro-1-ethoxypropyl)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-ethoxypropyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chloro-1-ethoxypropyl)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-ethoxypropyl)toluene?
The CAS number of 4-(3-Chloro-1-ethoxypropyl)toluene is 83949-36-4.
What is the molecular formula of 4-(3-Chloro-1-ethoxypropyl)toluene?
The molecular formula of 4-(3-Chloro-1-ethoxypropyl)toluene is C12H17ClO.
What is the molecular weight of 4-(3-Chloro-1-ethoxypropyl)toluene?
The molecular weight of 4-(3-Chloro-1-ethoxypropyl)toluene is 212.10 g/mol.
Where can I buy 4-(3-Chloro-1-ethoxypropyl)toluene?
You can request a quote for 4-(3-Chloro-1-ethoxypropyl)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-ethoxypropyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-1-ethoxypropyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.