Halacrinate
TL;DR: Halacrinate (CAS 34462-96-9) is a chemical compound with molecular formula C12H7BrClNO2 and molecular weight 310.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-bromo-5-chloroquinolin-8-yl) prop-2-enoate
Also Known As: Halacrinate, Halacrinate [ISO], Polyisoleucine, Acriquinate, Halacrinat
| Molecular Formula | C12H7BrClNO2 |
|---|---|
| Molecular Weight | 310.93 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.93488 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 34462-96-9 |
|---|---|
| SMILES | C=CC(=O)OC1=C(C=C(C2=C1N=CC=C2)Cl)Br |
| InChIKey | YDNLKBDXQCHOTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Halacrinate (CAS 34462-96-9), with molecular formula C12H7BrClNO2 and molecular weight 310.93 g/mol. IUPAC: (7-bromo-5-chloroquinolin-8-yl) prop-2-enoate.
Chemical Property Profile of Halacrinate
Property Insights of Halacrinate
The XLogP value of 3.9 indicates that Halacrinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Halacrinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Halacrinate 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 Halacrinate?
The CAS number of Halacrinate is 34462-96-9.
What is the molecular formula of Halacrinate?
The molecular formula of Halacrinate is C12H7BrClNO2.
What is the molecular weight of Halacrinate?
The molecular weight of Halacrinate is 310.93 g/mol.
Where can I buy Halacrinate?
You can request a quote for Halacrinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halacrinate?
Yes, KEHONG BIO provides custom synthesis services for Halacrinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.