Cyclohexylmethyl chloroformate
TL;DR: Cyclohexylmethyl chloroformate (CAS 6099-86-1) is a chemical compound with molecular formula C8H13ClO2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexylmethyl carbonochloridate
Also Known As: Cyclohexylmethyl chloroformate, cyclohexylmethyl carbonochloridate, cyclohexylmethylchloroformate, cyclohexylmethyl chlorocarbonate, Chloroformic acid cyclohexylmethyl ester
| Molecular Formula | C8H13ClO2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.06041 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 6099-86-1 |
|---|---|
| SMILES | C1CCC(CC1)COC(=O)Cl |
| InChIKey | AOQONNCNKUWWRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexylmethyl chloroformate (CAS 6099-86-1), with molecular formula C8H13ClO2 and molecular weight 176.06 g/mol. IUPAC: cyclohexylmethyl carbonochloridate.
Chemical Property Profile of Cyclohexylmethyl chloroformate
Property Insights of Cyclohexylmethyl chloroformate
The XLogP value of 3.5 indicates that Cyclohexylmethyl 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, Cyclohexylmethyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexylmethyl 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 Cyclohexylmethyl chloroformate?
The CAS number of Cyclohexylmethyl chloroformate is 6099-86-1.
What is the molecular formula of Cyclohexylmethyl chloroformate?
The molecular formula of Cyclohexylmethyl chloroformate is C8H13ClO2.
What is the molecular weight of Cyclohexylmethyl chloroformate?
The molecular weight of Cyclohexylmethyl chloroformate is 176.06 g/mol.
Where can I buy Cyclohexylmethyl chloroformate?
You can request a quote for Cyclohexylmethyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexylmethyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexylmethyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.