12-(1-Pyrene)dodecanoic acid
TL;DR: 12-(1-Pyrene)dodecanoic acid (CAS 69168-45-2) is a chemical compound with molecular formula C28H32O2 and molecular weight 400.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-pyren-1-yldodecanoic acid
Also Known As: 1-Pyrenedodecanoic acid, 12-(pyren-1-yl)dodecanoic acid, 12-Pdda, 12-(1-Pyrenyl)dodecanoic acid, 12-pyren-1-yldodecanoic acid
| Molecular Formula | C28H32O2 |
|---|---|
| Molecular Weight | 400.24 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 400.24023 |
| Heavy Atoms | 30 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 69168-45-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCCCCCCCCC(=O)O |
| InChIKey | JORFLUCVQONOPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-(1-Pyrene)dodecanoic acid (CAS 69168-45-2), with molecular formula C28H32O2 and molecular weight 400.24 g/mol. IUPAC: 12-pyren-1-yldodecanoic acid.
Chemical Property Profile of 12-(1-Pyrene)dodecanoic acid
Property Insights of 12-(1-Pyrene)dodecanoic acid
The XLogP value of 9.5 indicates that 12-(1-Pyrene)dodecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 12-(1-Pyrene)dodecanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-(1-Pyrene)dodecanoic acid has 1 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 12-(1-Pyrene)dodecanoic acid?
The CAS number of 12-(1-Pyrene)dodecanoic acid is 69168-45-2.
What is the molecular formula of 12-(1-Pyrene)dodecanoic acid?
The molecular formula of 12-(1-Pyrene)dodecanoic acid is C28H32O2.
What is the molecular weight of 12-(1-Pyrene)dodecanoic acid?
The molecular weight of 12-(1-Pyrene)dodecanoic acid is 400.24 g/mol.
Where can I buy 12-(1-Pyrene)dodecanoic acid?
You can request a quote for 12-(1-Pyrene)dodecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-(1-Pyrene)dodecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-(1-Pyrene)dodecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.