Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester
TL;DR: Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester (CAS 70042-58-9) 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.
(1-tert-butylcyclohexyl) carbonochloridate
Also Known As: tert-Butylcyclohexyl chloroformate, Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester, 1-tert-Butylcyclohexyl carbonochloridate, (1-tert-butylcyclohexyl) carbonochloridate, Carbonochloridic acid,(1,1-dimethylethyl)cyclohexyl ester (9CI)
| Molecular Formula | C11H19ClO2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 4.1108 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.10736 |
| Heavy Atoms | 14 |
| Complexity | 211.81764 |
Chemical Identifiers
| CAS Number | 70042-58-9 |
|---|---|
| SMILES | CC(C)(C)C1(CCCCC1)OC(=O)Cl |
Product Overview
Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester (CAS 70042-58-9), with molecular formula C11H19ClO2 and molecular weight 218.11 g/mol. IUPAC: (1-tert-butylcyclohexyl) carbonochloridate.
Chemical Property Profile of Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester
Property Insights of Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester
The XLogP value of 4.1108 indicates that Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester 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 Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester?
The CAS number of Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester is 70042-58-9.
What is the molecular formula of Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester?
The molecular formula of Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester is C11H19ClO2.
What is the molecular weight of Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester?
The molecular weight of Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester is 218.11 g/mol.
Where can I buy Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester?
You can request a quote for Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.