异十八烷酸异十八烷基酯
TL;DR: 异十八烷酸异十八烷基酯 (CAS 77851-07-1) is a chemical compound with molecular formula C36H72O2 and molecular weight 536.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异十八烷酸异十八烷基酯
16-methylheptadecyl 16-methylheptadecanoate
Also Known As: Isostearyl isostearate, Isooctadecyl isooctadecanoate, CRODAMOL ISIS, SABODERM IS, DUB ISIS
| Molecular Formula | C36H72O2 |
|---|---|
| Molecular Weight | 536.55 g/mol |
| LogP | 16.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 32 |
| Exact Mass | 536.5532 |
| Heavy Atoms | 38 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 77851-07-1 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C |
| InChIKey | ABEXEQSGABRUHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异十八烷酸异十八烷基酯 (CAS 77851-07-1), with molecular formula C36H72O2 and molecular weight 536.55 g/mol. IUPAC: 16-methylheptadecyl 16-methylheptadecanoate.
Chemical Property Profile of 异十八烷酸异十八烷基酯
Property Insights of 异十八烷酸异十八烷基酯
The XLogP value of 16.8 indicates that 异十八烷酸异十八烷基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 异十八烷酸异十八烷基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异十八烷酸异十八烷基酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异十八烷酸异十八烷基酯?
The CAS number of 异十八烷酸异十八烷基酯 is 77851-07-1.
What is the molecular formula of 异十八烷酸异十八烷基酯?
The molecular formula of 异十八烷酸异十八烷基酯 is C36H72O2.
What is the molecular weight of 异十八烷酸异十八烷基酯?
The molecular weight of 异十八烷酸异十八烷基酯 is 536.55 g/mol.
Where can I buy 异十八烷酸异十八烷基酯?
You can request a quote for 异十八烷酸异十八烷基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异十八烷酸异十八烷基酯?
Yes, KEHONG BIO provides custom synthesis services for 异十八烷酸异十八烷基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.