Pentacosane, 13-phenyl-
TL;DR: Pentacosane, 13-phenyl- (CAS 6006-90-2) is a chemical compound with molecular formula C31H56 and molecular weight 428.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentacosan-13-ylbenzene
Also Known As: Pentacosane, 13-phenyl-, 13-Phenylpentacosane, pentacosan-13-ylbenzene, Pentacosane,13-phenyl, Benzene, (1-dodecyltridecyl)-
| Molecular Formula | C31H56 |
|---|---|
| Molecular Weight | 428.44 g/mol |
| LogP | 15.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 23 |
| Exact Mass | 428.4382 |
| Heavy Atoms | 31 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 6006-90-2 |
|---|---|
| SMILES | CCCCCCCCCCCCC(CCCCCCCCCCCC)C1=CC=CC=C1 |
| InChIKey | FARZSOUCOJBKMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentacosane, 13-phenyl- (CAS 6006-90-2), with molecular formula C31H56 and molecular weight 428.44 g/mol. IUPAC: pentacosan-13-ylbenzene.
Chemical Property Profile of Pentacosane, 13-phenyl-
Property Insights of Pentacosane, 13-phenyl-
The XLogP value of 15.0 indicates that Pentacosane, 13-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentacosane, 13-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentacosane, 13-phenyl- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentacosane, 13-phenyl-?
The CAS number of Pentacosane, 13-phenyl- is 6006-90-2.
What is the molecular formula of Pentacosane, 13-phenyl-?
The molecular formula of Pentacosane, 13-phenyl- is C31H56.
What is the molecular weight of Pentacosane, 13-phenyl-?
The molecular weight of Pentacosane, 13-phenyl- is 428.44 g/mol.
Where can I buy Pentacosane, 13-phenyl-?
You can request a quote for Pentacosane, 13-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentacosane, 13-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Pentacosane, 13-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.