4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene
TL;DR: 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene (CAS 54074-11-2) is a chemical compound with molecular formula C13H19ClO3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene
Also Known As: 4-chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene, Benzene, 4-chloro-1-(2,2-diethoxyethoxy)-2-methyl-, Benzene,4-chloro-1-(2,2-diethoxyethoxy)-2-methyl
| Molecular Formula | C13H19ClO3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 3.42632 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.10226 |
| Heavy Atoms | 17 |
| Complexity | 335.4365 |
Chemical Identifiers
| CAS Number | 54074-11-2 |
|---|---|
| SMILES | CCOC(COC1=C(C=C(C=C1)Cl)C)OCC |
Product Overview
4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene (CAS 54074-11-2), with molecular formula C13H19ClO3 and molecular weight 258.10 g/mol. IUPAC: 4-chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene.
Chemical Property Profile of 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene
Property Insights of 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene
The XLogP value of 3.42632 indicates that 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene has 0 hydrogen bond donor(s) and 3 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-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene?
The CAS number of 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene is 54074-11-2.
What is the molecular formula of 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene?
The molecular formula of 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene is C13H19ClO3.
What is the molecular weight of 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene?
The molecular weight of 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene is 258.10 g/mol.
Where can I buy 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene?
You can request a quote for 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.