苯乙酸-异喹啉(1:1)复合物
TL;DR: 苯乙酸-异喹啉(1:1)复合物 (CAS 68140-47-6) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙酸-异喹啉(1:1)复合物
isoquinoline;2-phenylacetic acid
Also Known As: Isoquinoline, phenyl acetic acid salt, isoquinoline,2-phenylacetic acid, isoquinoline; 2-phenylacetic acid, Phenylacetic acid--isoquinoline (1/1), Benzeneacetic acid, compd. with isoquinoline (1:1)
| Molecular Formula | C17H15NO2 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 3.55 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.1103 |
| Heavy Atoms | 20 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 68140-47-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)O.C1=CC=C2C=NC=CC2=C1 |
| InChIKey | QICJQBZNIXQTSK-UHFFFAOYSA-N |
Product Overview
苯乙酸-异喹啉(1:1)复合物 (CAS 68140-47-6), with molecular formula C17H15NO2 and molecular weight 265.11 g/mol. IUPAC: isoquinoline;2-phenylacetic acid.
Chemical Property Profile of 苯乙酸-异喹啉(1:1)复合物
Property Insights of 苯乙酸-异喹啉(1:1)复合物
The XLogP value of 3.55 indicates that 苯乙酸-异喹啉(1:1)复合物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 苯乙酸-异喹啉(1:1)复合物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙酸-异喹啉(1:1)复合物 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苯乙酸-异喹啉(1:1)复合物?
The CAS number of 苯乙酸-异喹啉(1:1)复合物 is 68140-47-6.
What is the molecular formula of 苯乙酸-异喹啉(1:1)复合物?
The molecular formula of 苯乙酸-异喹啉(1:1)复合物 is C17H15NO2.
What is the molecular weight of 苯乙酸-异喹啉(1:1)复合物?
The molecular weight of 苯乙酸-异喹啉(1:1)复合物 is 265.11 g/mol.
Where can I buy 苯乙酸-异喹啉(1:1)复合物?
You can request a quote for 苯乙酸-异喹啉(1:1)复合物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙酸-异喹啉(1:1)复合物?
Yes, KEHONG BIO provides custom synthesis services for 苯乙酸-异喹啉(1:1)复合物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.