2,6-Bis(1-methylheptadecyl)-p-cresol
TL;DR: 2,6-Bis(1-methylheptadecyl)-p-cresol (CAS 5012-62-4) is a chemical compound with molecular formula C43H80O and molecular weight 612.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2,6-di(octadecan-2-yl)phenol
Also Known As: 2,6-bis -p-cresol, 2,6-Bis(1-methylheptadecyl)-p-cresol, EASTMAN INHIBITOR DOPC, Phenol, 4-methyl-2,6-bis(1-methylheptadecyl)-, 4-methyl-2,6-di(octadecan-2-yl)phenol
| Molecular Formula | C43H80O |
|---|---|
| Molecular Weight | 612.62 g/mol |
| LogP | 20.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 32 |
| Exact Mass | 612.6209 |
| Heavy Atoms | 44 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 5012-62-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(C)C1=CC(=CC(=C1O)C(C)CCCCCCCCCCCCCCCC)C |
| InChIKey | GXUYCJJDHBJKHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Bis(1-methylheptadecyl)-p-cresol (CAS 5012-62-4), with molecular formula C43H80O and molecular weight 612.62 g/mol. IUPAC: 4-methyl-2,6-di(octadecan-2-yl)phenol.
Chemical Property Profile of 2,6-Bis(1-methylheptadecyl)-p-cresol
Property Insights of 2,6-Bis(1-methylheptadecyl)-p-cresol
The XLogP value of 20.4 indicates that 2,6-Bis(1-methylheptadecyl)-p-cresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,6-Bis(1-methylheptadecyl)-p-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Bis(1-methylheptadecyl)-p-cresol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Bis(1-methylheptadecyl)-p-cresol?
The CAS number of 2,6-Bis(1-methylheptadecyl)-p-cresol is 5012-62-4.
What is the molecular formula of 2,6-Bis(1-methylheptadecyl)-p-cresol?
The molecular formula of 2,6-Bis(1-methylheptadecyl)-p-cresol is C43H80O.
What is the molecular weight of 2,6-Bis(1-methylheptadecyl)-p-cresol?
The molecular weight of 2,6-Bis(1-methylheptadecyl)-p-cresol is 612.62 g/mol.
Where can I buy 2,6-Bis(1-methylheptadecyl)-p-cresol?
You can request a quote for 2,6-Bis(1-methylheptadecyl)-p-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(1-methylheptadecyl)-p-cresol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(1-methylheptadecyl)-p-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.