Heptane, 1,1,1,7-tetrachloro-
TL;DR: Heptane, 1,1,1,7-tetrachloro- (CAS 3922-36-9) is a chemical compound with molecular formula C7H12Cl4 and molecular weight 235.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,7-tetrachloroheptane
Also Known As: 1,1,1,7-Tetrachloroheptane, HEPTANE, 1,1,1,7-TETRACHLORO-, 4-01-00-00391 (Beilstein Handbook Reference), BRN 1742531, RefChem:145654
| Molecular Formula | C7H12Cl4 |
|---|---|
| Molecular Weight | 235.97 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.96635 |
| Heavy Atoms | 11 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 3922-36-9 |
|---|---|
| SMILES | C(CCCCl)CCC(Cl)(Cl)Cl |
| InChIKey | HIZWVJSDYNNBMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptane, 1,1,1,7-tetrachloro- (CAS 3922-36-9), with molecular formula C7H12Cl4 and molecular weight 235.97 g/mol. IUPAC: 1,1,1,7-tetrachloroheptane.
Chemical Property Profile of Heptane, 1,1,1,7-tetrachloro-
Property Insights of Heptane, 1,1,1,7-tetrachloro-
The XLogP value of 4.6 indicates that Heptane, 1,1,1,7-tetrachloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Heptane, 1,1,1,7-tetrachloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptane, 1,1,1,7-tetrachloro- has 0 hydrogen bond donor(s) and 0 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 Heptane, 1,1,1,7-tetrachloro-?
The CAS number of Heptane, 1,1,1,7-tetrachloro- is 3922-36-9.
What is the molecular formula of Heptane, 1,1,1,7-tetrachloro-?
The molecular formula of Heptane, 1,1,1,7-tetrachloro- is C7H12Cl4.
What is the molecular weight of Heptane, 1,1,1,7-tetrachloro-?
The molecular weight of Heptane, 1,1,1,7-tetrachloro- is 235.97 g/mol.
Where can I buy Heptane, 1,1,1,7-tetrachloro-?
You can request a quote for Heptane, 1,1,1,7-tetrachloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane, 1,1,1,7-tetrachloro-?
Yes, KEHONG BIO provides custom synthesis services for Heptane, 1,1,1,7-tetrachloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.