![1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene structure](/static/products/5484/54845-38-4.webp)
1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene
TL;DR: 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene (CAS 54845-38-4) is a chemical compound with molecular formula C11H13ClO and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloroprop-2-enoxy)-2,4-dimethylbenzene
Also Known As: 1-[oxy]-2,4-dimethylbenzene, 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene
| Molecular Formula | C11H13ClO |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.06549 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 54845-38-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC=CCl)C |
| InChIKey | SYXDJGFOGSQULI-UHFFFAOYSA-N |
Product Overview
1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene (CAS 54845-38-4), with molecular formula C11H13ClO and molecular weight 196.07 g/mol. IUPAC: 1-(3-chloroprop-2-enoxy)-2,4-dimethylbenzene.
Chemical Property Profile of 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene
Property Insights of 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene
The XLogP value of 3.5 indicates that 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene 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-2-propenyl)oxy]-2,4-dimethylbenzene?
The CAS number of 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene is 54845-38-4.
What is the molecular formula of 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene?
The molecular formula of 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene is C11H13ClO.
What is the molecular weight of 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene?
The molecular weight of 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene is 196.07 g/mol.
Where can I buy 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene?
You can request a quote for 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene 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-2-propenyl)oxy]-2,4-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chloro-2-propenyl)oxy]-2,4-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.