Heptane, 4-(1-methylethyl)-
TL;DR: Heptane, 4-(1-methylethyl)- (CAS 52896-87-4) is a chemical compound with molecular formula C10H22 and molecular weight 142.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylheptane
Also Known As: 4-Isopropylheptane, 4-isopropyl-heptane, Heptane, 4-(1-methylethyl)-, 4-propan-2-ylheptane, 4-(propan-2-yl)heptane
| Molecular Formula | C10H22 |
|---|---|
| Molecular Weight | 142.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.17215 |
| Heavy Atoms | 10 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 52896-87-4 |
|---|---|
| SMILES | CCCC(CCC)C(C)C |
| InChIKey | AZLAWGCUDHUQDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptane, 4-(1-methylethyl)- (CAS 52896-87-4), with molecular formula C10H22 and molecular weight 142.17 g/mol. IUPAC: 4-propan-2-ylheptane.
Chemical Property Profile of Heptane, 4-(1-methylethyl)-
Property Insights of Heptane, 4-(1-methylethyl)-
The XLogP value of 5.1 indicates that Heptane, 4-(1-methylethyl)- 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, 4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptane, 4-(1-methylethyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptane, 4-(1-methylethyl)-?
The CAS number of Heptane, 4-(1-methylethyl)- is 52896-87-4.
What is the molecular formula of Heptane, 4-(1-methylethyl)-?
The molecular formula of Heptane, 4-(1-methylethyl)- is C10H22.
What is the molecular weight of Heptane, 4-(1-methylethyl)-?
The molecular weight of Heptane, 4-(1-methylethyl)- is 142.17 g/mol.
Where can I buy Heptane, 4-(1-methylethyl)-?
You can request a quote for Heptane, 4-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane, 4-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Heptane, 4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.