Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide
TL;DR: Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide (CAS 100749-89-1) is a chemical compound with molecular formula C17H16INO2 and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methylbenzo[h]quinolin-4-yl)acetate;hydroiodide
Also Known As: Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide, Methyl 2-(2-methylbenzo[h]quinolin-4-yl)acetate hydroiodide, Methyl 2-(2-methylbenzo(h)quinolin-4-yl)acetate hydroiodide, methyl 2-(2-methylbenzo[h]quinolin-4-yl)acetate,hydroiodide, 2-(4-hydroxyphenethyl)-2H-cyclopenta[c]pyridine-4,7-dicarbaldehyde
| Molecular Formula | C17H16INO2 |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 4.02992 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.02258 |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 100749-89-1 |
|---|---|
| SMILES | CC1=CC(=C2C=CC3=CC=CC=C3C2=N1)CC(=O)OC.I |
| InChIKey | VJDDNMAOTDWKGC-UHFFFAOYSA-N |
Product Overview
Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide (CAS 100749-89-1), with molecular formula C17H16INO2 and molecular weight 393.02 g/mol. IUPAC: methyl 2-(2-methylbenzo[h]quinolin-4-yl)acetate;hydroiodide.
Chemical Property Profile of Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide
Property Insights of Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide
The XLogP value of 4.02992 indicates that Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide 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 Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide?
The CAS number of Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide is 100749-89-1.
What is the molecular formula of Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide?
The molecular formula of Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide is C17H16INO2.
What is the molecular weight of Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide?
The molecular weight of Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide is 393.02 g/mol.
Where can I buy Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide?
You can request a quote for Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide?
Yes, KEHONG BIO provides custom synthesis services for Benzo(h)quinoline-4-acetic acid, 2-methyl-, methyl ester, hydriodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.