Quinolin-8-yl 3-chloro-4-methoxybenzoate
TL;DR: Quinolin-8-yl 3-chloro-4-methoxybenzoate (CAS 333780-09-9) is a chemical compound with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 3-chloro-4-methoxybenzoate
Also Known As: quinolin-8-yl 3-chloro-4-methoxybenzoate, 8-quinolyl 3-chloro-4-methoxybenzoate, 8-quinolinyl 3-chloro-4-methoxybenzoate, BAS 01041240, BIM-0005329.P001
| Molecular Formula | C17H12ClNO3 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.05057 |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 333780-09-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2=CC=CC3=C2N=CC=C3)Cl |
| InChIKey | IZVSNMMAWMKWRH-UHFFFAOYSA-N |
Product Overview
Quinolin-8-yl 3-chloro-4-methoxybenzoate (CAS 333780-09-9), with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol. IUPAC: quinolin-8-yl 3-chloro-4-methoxybenzoate.
Chemical Property Profile of Quinolin-8-yl 3-chloro-4-methoxybenzoate
Property Insights of Quinolin-8-yl 3-chloro-4-methoxybenzoate
The XLogP value of 4.3 indicates that Quinolin-8-yl 3-chloro-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.4 Ų, Quinolin-8-yl 3-chloro-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolin-8-yl 3-chloro-4-methoxybenzoate has 0 hydrogen bond donor(s) and 4 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 Quinolin-8-yl 3-chloro-4-methoxybenzoate?
The CAS number of Quinolin-8-yl 3-chloro-4-methoxybenzoate is 333780-09-9.
What is the molecular formula of Quinolin-8-yl 3-chloro-4-methoxybenzoate?
The molecular formula of Quinolin-8-yl 3-chloro-4-methoxybenzoate is C17H12ClNO3.
What is the molecular weight of Quinolin-8-yl 3-chloro-4-methoxybenzoate?
The molecular weight of Quinolin-8-yl 3-chloro-4-methoxybenzoate is 313.05 g/mol.
Where can I buy Quinolin-8-yl 3-chloro-4-methoxybenzoate?
You can request a quote for Quinolin-8-yl 3-chloro-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolin-8-yl 3-chloro-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 3-chloro-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.