Quinolin-8-yl 3,4,4-trichlorobut-3-enoate
TL;DR: Quinolin-8-yl 3,4,4-trichlorobut-3-enoate (CAS 654646-36-3) is a chemical compound with molecular formula C13H8Cl3NO2 and molecular weight 314.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 3,4,4-trichlorobut-3-enoate
Also Known As: quinolin-8-yl 3,4,4-trichlorobut-3-enoate, 3-Butenoic acid,3,4,4-trichloro-,8-quinolinyl ester, 3-Butenoic acid, 3,4,4-trichloro-, 8-quinolinyl ester, A3482/0147721
| Molecular Formula | C13H8Cl3NO2 |
|---|---|
| Molecular Weight | 314.96 g/mol |
| LogP | 4.4158 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.96207 |
| Heavy Atoms | 19 |
| Complexity | 645.8833 |
Chemical Identifiers
| CAS Number | 654646-36-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OC(=O)CC(=C(Cl)Cl)Cl)N=CC=C2 |
Product Overview
Quinolin-8-yl 3,4,4-trichlorobut-3-enoate (CAS 654646-36-3), with molecular formula C13H8Cl3NO2 and molecular weight 314.96 g/mol. IUPAC: quinolin-8-yl 3,4,4-trichlorobut-3-enoate.
Chemical Property Profile of Quinolin-8-yl 3,4,4-trichlorobut-3-enoate
Property Insights of Quinolin-8-yl 3,4,4-trichlorobut-3-enoate
The XLogP value of 4.4158 indicates that Quinolin-8-yl 3,4,4-trichlorobut-3-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Quinolin-8-yl 3,4,4-trichlorobut-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolin-8-yl 3,4,4-trichlorobut-3-enoate has 0 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 Quinolin-8-yl 3,4,4-trichlorobut-3-enoate?
The CAS number of Quinolin-8-yl 3,4,4-trichlorobut-3-enoate is 654646-36-3.
What is the molecular formula of Quinolin-8-yl 3,4,4-trichlorobut-3-enoate?
The molecular formula of Quinolin-8-yl 3,4,4-trichlorobut-3-enoate is C13H8Cl3NO2.
What is the molecular weight of Quinolin-8-yl 3,4,4-trichlorobut-3-enoate?
The molecular weight of Quinolin-8-yl 3,4,4-trichlorobut-3-enoate is 314.96 g/mol.
Where can I buy Quinolin-8-yl 3,4,4-trichlorobut-3-enoate?
You can request a quote for Quinolin-8-yl 3,4,4-trichlorobut-3-enoate 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 3,4,4-trichlorobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 3,4,4-trichlorobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.