Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy-
TL;DR: Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy- (CAS 55191-16-7) is a chemical compound with molecular formula C11H14Cl2O and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-1,3-dichloro-2-methoxybenzene
Also Known As: 5-tert-butyl-1,3-dichloro-2-methoxybenzene, Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy-, 1,3-Dichloro-2-methoxy-5-tert-butylbenzene, 4-tert-Butyl-2,6-dichlorophenyl methyl ether, 5-(tert-butyl)-1,3-dichloro-2-methoxybenzene
| Molecular Formula | C11H14Cl2O |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.04218 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 55191-16-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)Cl)OC)Cl |
| InChIKey | MTOROSUNXZKMLR-UHFFFAOYSA-N |
Product Overview
Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy- (CAS 55191-16-7), with molecular formula C11H14Cl2O and molecular weight 232.04 g/mol. IUPAC: 5-tert-butyl-1,3-dichloro-2-methoxybenzene.
Chemical Property Profile of Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy-
Property Insights of Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy-
The XLogP value of 4.8 indicates that Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy- 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, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy- 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, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy-?
The CAS number of Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy- is 55191-16-7.
What is the molecular formula of Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy-?
The molecular formula of Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy- is C11H14Cl2O.
What is the molecular weight of Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy-?
The molecular weight of Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy- is 232.04 g/mol.
Where can I buy Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy-?
You can request a quote for Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-dichloro-5-(1,1-dimethylethyl)-2-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.