1-芘丁酸
TL;DR: 1-芘丁酸 (CAS 3443-45-6) is a chemical compound with molecular formula C20H16O2 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-芘丁酸
4-pyren-1-ylbutanoic acid
Also Known As: 1-Pyrenebutyric acid, 1-Pyrenebutanoic acid, 1-Pyrenylbutyric acid, 4-(Pyren-1-Yl)Butanoic Acid, pyrenebutyric acid
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.11502 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 3443-45-6 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O |
| InChIKey | QXYRRCOJHNZVDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-芘丁酸 (CAS 3443-45-6), with molecular formula C20H16O2 and molecular weight 288.12 g/mol. IUPAC: 4-pyren-1-ylbutanoic acid.
Chemical Property Profile of 1-芘丁酸
Property Insights of 1-芘丁酸
The XLogP value of 5.1 indicates that 1-芘丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-芘丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-芘丁酸 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 1-芘丁酸?
The CAS number of 1-芘丁酸 is 3443-45-6.
What is the molecular formula of 1-芘丁酸?
The molecular formula of 1-芘丁酸 is C20H16O2.
What is the molecular weight of 1-芘丁酸?
The molecular weight of 1-芘丁酸 is 288.12 g/mol.
Where can I buy 1-芘丁酸?
You can request a quote for 1-芘丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-芘丁酸?
Yes, KEHONG BIO provides custom synthesis services for 1-芘丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.