1,7-Dichloro-heptan-4-one
TL;DR: 1,7-Dichloro-heptan-4-one (CAS 40624-07-5) is a chemical compound with molecular formula C7H12Cl2O and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dichloroheptan-4-one
Also Known As: 1,7-dichloroheptan-4-one, 1,7-Dichloro-4-heptanone, chloropropyl ketone, 1,7-dichloro-4-oxo-heptane, 1,7-dichloro-heptan-4-one
| Molecular Formula | C7H12Cl2O |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.02652 |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 40624-07-5 |
|---|---|
| SMILES | C(CC(=O)CCCCl)CCl |
| InChIKey | SCKUIKDAPAUGBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,7-Dichloro-heptan-4-one (CAS 40624-07-5), with molecular formula C7H12Cl2O and molecular weight 182.03 g/mol. IUPAC: 1,7-dichloroheptan-4-one.
Chemical Property Profile of 1,7-Dichloro-heptan-4-one
Property Insights of 1,7-Dichloro-heptan-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Dichloro-heptan-4-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1,7-Dichloro-heptan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7-Dichloro-heptan-4-one has 0 hydrogen bond donor(s) and 1 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 1,7-Dichloro-heptan-4-one?
The CAS number of 1,7-Dichloro-heptan-4-one is 40624-07-5.
What is the molecular formula of 1,7-Dichloro-heptan-4-one?
The molecular formula of 1,7-Dichloro-heptan-4-one is C7H12Cl2O.
What is the molecular weight of 1,7-Dichloro-heptan-4-one?
The molecular weight of 1,7-Dichloro-heptan-4-one is 182.03 g/mol.
Where can I buy 1,7-Dichloro-heptan-4-one?
You can request a quote for 1,7-Dichloro-heptan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Dichloro-heptan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dichloro-heptan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.