1,3-Dimethylcycloheptane
TL;DR: 1,3-Dimethylcycloheptane (CAS 13151-53-6) is a chemical compound with molecular formula C9H18 and molecular weight 126.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylcycloheptane
Also Known As: 1,3-dimethylcycloheptane, cis-1,3-Dimethylcycloheptane, cis-1,3-Dimethyl-cycloheptan, Cycloheptane, 1,3-dimethyl-, cis-, RefChem:1052888
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.140854 |
| Heavy Atoms | 9 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 13151-53-6 |
|---|---|
| SMILES | CC1CCCCC(C1)C |
| InChIKey | PTWXFJWKUMXFLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethylcycloheptane (CAS 13151-53-6), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: 1,3-dimethylcycloheptane.
Chemical Property Profile of 1,3-Dimethylcycloheptane
Property Insights of 1,3-Dimethylcycloheptane
The XLogP value of 4.7 indicates that 1,3-Dimethylcycloheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dimethylcycloheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylcycloheptane 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 1,3-Dimethylcycloheptane?
The CAS number of 1,3-Dimethylcycloheptane is 13151-53-6.
What is the molecular formula of 1,3-Dimethylcycloheptane?
The molecular formula of 1,3-Dimethylcycloheptane is C9H18.
What is the molecular weight of 1,3-Dimethylcycloheptane?
The molecular weight of 1,3-Dimethylcycloheptane is 126.14 g/mol.
Where can I buy 1,3-Dimethylcycloheptane?
You can request a quote for 1,3-Dimethylcycloheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylcycloheptane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylcycloheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.