3-Amino-1,4-dibromoisoquinoline
TL;DR: 3-Amino-1,4-dibromoisoquinoline (CAS 28970-70-9) is a chemical compound with molecular formula C9H6Br2N2 and molecular weight 299.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibromoisoquinolin-3-amine
Also Known As: 1,4-Dibromo-3-isoquinolinamine, 3-Amino-1,4-dibromoisoquinoline, 1,4-dibromoisoquinolin-3-amine, 1,4-dibromoisoquinolin-3-ylamine, 1,4-dibromo-isoquinolin-3-ylamine
| Molecular Formula | C9H6Br2N2 |
|---|---|
| Molecular Weight | 299.89 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.88977 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 28970-70-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N=C2Br)N)Br |
| InChIKey | TXFQCFIMHJMCQM-UHFFFAOYSA-N |
Product Overview
3-Amino-1,4-dibromoisoquinoline (CAS 28970-70-9), with molecular formula C9H6Br2N2 and molecular weight 299.89 g/mol. IUPAC: 1,4-dibromoisoquinolin-3-amine.
Chemical Property Profile of 3-Amino-1,4-dibromoisoquinoline
Property Insights of 3-Amino-1,4-dibromoisoquinoline
The XLogP value of 3.5 indicates that 3-Amino-1,4-dibromoisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.9 Ų, 3-Amino-1,4-dibromoisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-1,4-dibromoisoquinoline has 1 hydrogen bond donor(s) and 2 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 3-Amino-1,4-dibromoisoquinoline?
The CAS number of 3-Amino-1,4-dibromoisoquinoline is 28970-70-9.
What is the molecular formula of 3-Amino-1,4-dibromoisoquinoline?
The molecular formula of 3-Amino-1,4-dibromoisoquinoline is C9H6Br2N2.
What is the molecular weight of 3-Amino-1,4-dibromoisoquinoline?
The molecular weight of 3-Amino-1,4-dibromoisoquinoline is 299.89 g/mol.
Where can I buy 3-Amino-1,4-dibromoisoquinoline?
You can request a quote for 3-Amino-1,4-dibromoisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1,4-dibromoisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1,4-dibromoisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.