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Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl-
TL;DR: Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl- (CAS 53299-56-2) is a chemical compound with molecular formula C10H11ClO and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroprop-2-enoxy)-4-methylbenzene
Also Known As: NCIOpen2_001267, 1-(2-chloroprop-2-enoxy)-4-methylbenzene, Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl-, Propene, 2-chloro-3-(4-tolyloxy)-, 2-Chloro-2-propenyl 4-methylphenyl ether #
| Molecular Formula | C10H11ClO |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04984 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 53299-56-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=C)Cl |
| InChIKey | OMEBITJMTJRJOZ-UHFFFAOYSA-N |
Product Overview
Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl- (CAS 53299-56-2), with molecular formula C10H11ClO and molecular weight 182.05 g/mol. IUPAC: 1-(2-chloroprop-2-enoxy)-4-methylbenzene.
Chemical Property Profile of Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl-
Property Insights of Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl-
The XLogP value of 3.3 indicates that Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl- 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 Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl-?
The CAS number of Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl- is 53299-56-2.
What is the molecular formula of Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl-?
The molecular formula of Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl- is C10H11ClO.
What is the molecular weight of Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl-?
The molecular weight of Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl- is 182.05 g/mol.
Where can I buy Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl-?
You can request a quote for Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-[(2-chloro-2-propenyl)oxy]-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.