2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate
TL;DR: 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate (CAS 85720-84-9) is a chemical compound with molecular formula C19H27ClO3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butyl-2-cyclopentylphenoxy)propan-2-yl carbonochloridate
Also Known As: EINECS 288-391-6, 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate, 1-(4-tert-butyl-2-cyclopentylphenoxy)propan-2-yl carbonochloridate, Chloroformic acid 2-[2-cyclopentyl-4-(1,1-dimethylethyl)phenoxy]-1-methylethyl ester
| Molecular Formula | C19H27ClO3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 5.7844 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.1649 |
| Heavy Atoms | 23 |
| Complexity | 542.03595 |
Chemical Identifiers
| CAS Number | 85720-84-9 |
|---|---|
| SMILES | CC(COC1=C(C=C(C=C1)C(C)(C)C)C2CCCC2)OC(=O)Cl |
Product Overview
2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate (CAS 85720-84-9), with molecular formula C19H27ClO3 and molecular weight 338.16 g/mol. IUPAC: 1-(4-tert-butyl-2-cyclopentylphenoxy)propan-2-yl carbonochloridate.
Chemical Property Profile of 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate
Property Insights of 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate
The XLogP value of 5.7844 indicates that 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate?
The CAS number of 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate is 85720-84-9.
What is the molecular formula of 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate?
The molecular formula of 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate is C19H27ClO3.
What is the molecular weight of 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate?
The molecular weight of 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate is 338.16 g/mol.
Where can I buy 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate?
You can request a quote for 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-tert-Butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.