A1152/0053880
TL;DR: A1152/0053880 (CAS 311331-25-6) is a chemical compound with molecular formula C21H17BrN4O and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-bromophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1152/0053880, 2-AMINO-1-(4-BROMOPHENYL)-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(4-bromophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-bromophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-1-(4-BROMOPHENYL)-5-OXO-4-(3-PYRIDYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C21H17BrN4O |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 4.14888 |
| Topological Polar Surface Area | 83.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.05856 |
| Heavy Atoms | 27 |
| Complexity | 1002.7272 |
Chemical Identifiers
| CAS Number | 311331-25-6 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CN=CC=C4)C(=O)C1 |
Product Overview
A1152/0053880 (CAS 311331-25-6), with molecular formula C21H17BrN4O and molecular weight 420.06 g/mol. IUPAC: 2-amino-1-(4-bromophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A1152/0053880
Property Insights of A1152/0053880
The XLogP value of 4.14888 indicates that A1152/0053880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.01 Ų falls within the moderate polarity range, balancing permeability and solubility for A1152/0053880. Following Lipinski's Rule of Five, A1152/0053880 has 1 hydrogen bond donor(s) and 5 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 A1152/0053880?
The CAS number of A1152/0053880 is 311331-25-6.
What is the molecular formula of A1152/0053880?
The molecular formula of A1152/0053880 is C21H17BrN4O.
What is the molecular weight of A1152/0053880?
The molecular weight of A1152/0053880 is 420.06 g/mol.
Where can I buy A1152/0053880?
You can request a quote for A1152/0053880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1152/0053880?
Yes, KEHONG BIO provides custom synthesis services for A1152/0053880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.