Hexamethylene bis(chloroformate)
TL;DR: Hexamethylene bis(chloroformate) (CAS 2916-20-3) is a chemical compound with molecular formula C8H12Cl2O4 and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-carbonochloridoyloxyhexyl carbonochloridate
Also Known As: Hexamethylene bis(chloroformate), Davy Reagent methyl, hexane-1,6-diyl dicarbonochloridate, Hexamethylenebis(chloroformate), 6-carbonochloridoyloxyhexyl carbonochloridate
| Molecular Formula | C8H12Cl2O4 |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 242.01126 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 2916-20-3 |
|---|---|
| SMILES | C(CCCOC(=O)Cl)CCOC(=O)Cl |
| InChIKey | SLYNWPBNJOHZEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexamethylene bis(chloroformate) (CAS 2916-20-3), with molecular formula C8H12Cl2O4 and molecular weight 242.01 g/mol. IUPAC: 6-carbonochloridoyloxyhexyl carbonochloridate.
Chemical Property Profile of Hexamethylene bis(chloroformate)
Property Insights of Hexamethylene bis(chloroformate)
The XLogP value of 3.6 indicates that Hexamethylene bis(chloroformate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Hexamethylene bis(chloroformate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexamethylene bis(chloroformate) has 0 hydrogen bond donor(s) and 4 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 Hexamethylene bis(chloroformate)?
The CAS number of Hexamethylene bis(chloroformate) is 2916-20-3.
What is the molecular formula of Hexamethylene bis(chloroformate)?
The molecular formula of Hexamethylene bis(chloroformate) is C8H12Cl2O4.
What is the molecular weight of Hexamethylene bis(chloroformate)?
The molecular weight of Hexamethylene bis(chloroformate) is 242.01 g/mol.
Where can I buy Hexamethylene bis(chloroformate)?
You can request a quote for Hexamethylene bis(chloroformate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexamethylene bis(chloroformate)?
Yes, KEHONG BIO provides custom synthesis services for Hexamethylene bis(chloroformate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.