2,3,4-三甲基庚烷
TL;DR: 2,3,4-三甲基庚烷 (CAS 52896-95-4) 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.
2,3,4-三甲基庚烷
2,3,4-trimethylheptane
Also Known As: 2,3,4-Trimethylheptane, Heptane, 2,3,4-trimethyl-, 2,3,4-trimethyl-heptane, 2,3,4-Trimethylheptane., Heptane,2,3,4-trimethyl-
| Molecular Formula | C10H22 |
|---|---|
| Molecular Weight | 142.17 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.17215 |
| Heavy Atoms | 10 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 52896-95-4 |
|---|---|
| SMILES | CCCC(C)C(C)C(C)C |
| InChIKey | UVVYAKOLFKEZEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4-三甲基庚烷 (CAS 52896-95-4), with molecular formula C10H22 and molecular weight 142.17 g/mol. IUPAC: 2,3,4-trimethylheptane.
Chemical Property Profile of 2,3,4-三甲基庚烷
Property Insights of 2,3,4-三甲基庚烷
The XLogP value of 4.8 indicates that 2,3,4-三甲基庚烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3,4-三甲基庚烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-三甲基庚烷 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 2,3,4-三甲基庚烷?
The CAS number of 2,3,4-三甲基庚烷 is 52896-95-4.
What is the molecular formula of 2,3,4-三甲基庚烷?
The molecular formula of 2,3,4-三甲基庚烷 is C10H22.
What is the molecular weight of 2,3,4-三甲基庚烷?
The molecular weight of 2,3,4-三甲基庚烷 is 142.17 g/mol.
Where can I buy 2,3,4-三甲基庚烷?
You can request a quote for 2,3,4-三甲基庚烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-三甲基庚烷?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-三甲基庚烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.