氯甲酸正己酯
TL;DR: 氯甲酸正己酯 (CAS 6092-54-2) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯甲酸正己酯
hexyl carbonochloridate
Also Known As: Hexyl chloroformate, hexyl carbonochloridate, Hexyl chlorocarbonate, hexylchloroformate, N-HEXYL CHLOROFORMATE
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
| Boiling Point | 60-61 °C at 7 mm Hg |
| Density | 1.007 |
| Vapor Pressure | 3.1 [mmHg] |
| Refractive Index | 1.4240 @ 20 °C |
Chemical Identifiers
| CAS Number | 6092-54-2 |
|---|---|
| SMILES | CCCCCCOC(=O)Cl |
| InChIKey | KIWBRXCOTCXSSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯甲酸正己酯 (CAS 6092-54-2), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: hexyl carbonochloridate.
Chemical Property Profile of 氯甲酸正己酯
Property Insights of 氯甲酸正己酯
The XLogP value of 3.5 indicates that 氯甲酸正己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 氯甲酸正己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯甲酸正己酯 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 氯甲酸正己酯?
The CAS number of 氯甲酸正己酯 is 6092-54-2.
What is the molecular formula of 氯甲酸正己酯?
The molecular formula of 氯甲酸正己酯 is C7H13ClO2.
What is the molecular weight of 氯甲酸正己酯?
The molecular weight of 氯甲酸正己酯 is 164.06 g/mol.
Where can I buy 氯甲酸正己酯?
You can request a quote for 氯甲酸正己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯甲酸正己酯?
Yes, KEHONG BIO provides custom synthesis services for 氯甲酸正己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.