邻苯二甲酸二环己酯
TL;DR: 邻苯二甲酸二环己酯 (CAS 84-61-7) is a chemical compound with molecular formula C20H26O4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二甲酸二环己酯
dicyclohexyl benzene-1,2-dicarboxylate
Also Known As: DICYCLOHEXYL PHTHALATE, Ergoplast FDC, Ergoplast.fdc, Howflex CP, Unimoll 66
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 381.0 |
| Melting Point | 144 to 65.0 °C |
| Boiling Point | 392 to 235.0 °C at 4 mmHg |
| Density | 1.383 at 20.0 °C |
| Solubility | Insoluble (NTP, 1992) |
| Flash Point | 207.2 °C |
| Vapor Pressure | 0.1 mmHg at 150.0 °C |
| Refractive Index | = 1.431 at 20 °C |
Chemical Identifiers
| CAS Number | 84-61-7 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3 |
| InChIKey | VOWAEIGWURALJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二甲酸二环己酯 (CAS 84-61-7), with molecular formula C20H26O4 and molecular weight 330.18 g/mol. IUPAC: dicyclohexyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 邻苯二甲酸二环己酯
Property Insights of 邻苯二甲酸二环己酯
The XLogP value of 5.2 indicates that 邻苯二甲酸二环己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 邻苯二甲酸二环己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻苯二甲酸二环己酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 邻苯二甲酸二环己酯?
The CAS number of 邻苯二甲酸二环己酯 is 84-61-7.
What is the molecular formula of 邻苯二甲酸二环己酯?
The molecular formula of 邻苯二甲酸二环己酯 is C20H26O4.
What is the molecular weight of 邻苯二甲酸二环己酯?
The molecular weight of 邻苯二甲酸二环己酯 is 330.18 g/mol.
Where can I buy 邻苯二甲酸二环己酯?
You can request a quote for 邻苯二甲酸二环己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸二环己酯?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸二环己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.