4-tert-Butylcyclohexyl chloroformate
TL;DR: 4-tert-Butylcyclohexyl chloroformate (CAS 42125-46-2) is a chemical compound with molecular formula C11H19ClO2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylcyclohexyl) carbonochloridate
Also Known As: 4-tert-Butylcyclohexyl chloroformate, Z-Reagent, 4-(tert-Butyl)cyclohexyl carbonochloridate, 4-t-butylcyclohexyl chloroformate, tert-Butylcyclohexyl chloroformate
| Molecular Formula | C11H19ClO2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10736 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 42125-46-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)OC(=O)Cl |
| InChIKey | YXFSGPPQRCUVRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butylcyclohexyl chloroformate (CAS 42125-46-2), with molecular formula C11H19ClO2 and molecular weight 218.11 g/mol. IUPAC: (4-tert-butylcyclohexyl) carbonochloridate.
Chemical Property Profile of 4-tert-Butylcyclohexyl chloroformate
Property Insights of 4-tert-Butylcyclohexyl chloroformate
The XLogP value of 4.4 indicates that 4-tert-Butylcyclohexyl chloroformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-tert-Butylcyclohexyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylcyclohexyl chloroformate has 0 hydrogen bond donor(s) and 2 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-tert-Butylcyclohexyl chloroformate?
The CAS number of 4-tert-Butylcyclohexyl chloroformate is 42125-46-2.
What is the molecular formula of 4-tert-Butylcyclohexyl chloroformate?
The molecular formula of 4-tert-Butylcyclohexyl chloroformate is C11H19ClO2.
What is the molecular weight of 4-tert-Butylcyclohexyl chloroformate?
The molecular weight of 4-tert-Butylcyclohexyl chloroformate is 218.11 g/mol.
Where can I buy 4-tert-Butylcyclohexyl chloroformate?
You can request a quote for 4-tert-Butylcyclohexyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butylcyclohexyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylcyclohexyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.