6-芘基己酸
TL;DR: 6-芘基己酸 (CAS 90936-85-9) is a chemical compound with molecular formula C22H20O2 and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-芘基己酸
6-pyren-1-ylhexanoic acid
Also Known As: 1-Pyrenehexanoic acid, 6-Pyrenylhexanoic acid, 6-pyren-1-ylhexanoic acid, 1-PYRENEHEXANOICACID, Pyrene-1-hexanoic acid
| Molecular Formula | C22H20O2 |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.14633 |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 90936-85-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCCC(=O)O |
| InChIKey | NIFCSIAVYVXOTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-芘基己酸 (CAS 90936-85-9), with molecular formula C22H20O2 and molecular weight 316.15 g/mol. IUPAC: 6-pyren-1-ylhexanoic acid.
Chemical Property Profile of 6-芘基己酸
Property Insights of 6-芘基己酸
The XLogP value of 6.2 indicates that 6-芘基己酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 6-芘基己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-芘基己酸 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 6-芘基己酸?
The CAS number of 6-芘基己酸 is 90936-85-9.
What is the molecular formula of 6-芘基己酸?
The molecular formula of 6-芘基己酸 is C22H20O2.
What is the molecular weight of 6-芘基己酸?
The molecular weight of 6-芘基己酸 is 316.15 g/mol.
Where can I buy 6-芘基己酸?
You can request a quote for 6-芘基己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-芘基己酸?
Yes, KEHONG BIO provides custom synthesis services for 6-芘基己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.