辛基十二烷基苯甲酸酯
TL;DR: 辛基十二烷基苯甲酸酯 (CAS 108347-89-3) is a chemical compound with molecular formula C27H46O2 and molecular weight 402.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛基十二烷基苯甲酸酯
2-octyldodecyl benzoate
Also Known As: 2-octyldodecyl benzoate, Octyldodecyl Benzoate, FINSOLV BOD, 1-Dodecanol, 2-octyl-, benzoate, OCTODODECYL BENZOATE
| Molecular Formula | C27H46O2 |
|---|---|
| Molecular Weight | 402.35 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 402.3498 |
| Heavy Atoms | 29 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 108347-89-3 |
|---|---|
| SMILES | CCCCCCCCCCC(CCCCCCCC)COC(=O)C1=CC=CC=C1 |
| InChIKey | LNRUVXAPKCPQGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
辛基十二烷基苯甲酸酯 (CAS 108347-89-3), with molecular formula C27H46O2 and molecular weight 402.35 g/mol. IUPAC: 2-octyldodecyl benzoate.
Chemical Property Profile of 辛基十二烷基苯甲酸酯
Property Insights of 辛基十二烷基苯甲酸酯
The XLogP value of 11.4 indicates that 辛基十二烷基苯甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 辛基十二烷基苯甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 辛基十二烷基苯甲酸酯 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 辛基十二烷基苯甲酸酯?
The CAS number of 辛基十二烷基苯甲酸酯 is 108347-89-3.
What is the molecular formula of 辛基十二烷基苯甲酸酯?
The molecular formula of 辛基十二烷基苯甲酸酯 is C27H46O2.
What is the molecular weight of 辛基十二烷基苯甲酸酯?
The molecular weight of 辛基十二烷基苯甲酸酯 is 402.35 g/mol.
Where can I buy 辛基十二烷基苯甲酸酯?
You can request a quote for 辛基十二烷基苯甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛基十二烷基苯甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 辛基十二烷基苯甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.