A1235/0056806
TL;DR: A1235/0056806 (CAS 311320-34-0) is a chemical compound with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1235/0056806, 2-amino-4-(5-tert-butyl-2-thienyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(5-tert-butylthiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-4-(5-TERT-BUTYL-2-THIENYL)-1-(3-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(5-tert-butylthiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C24H24N4O3S |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 5.25858 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.15692 |
| Heavy Atoms | 32 |
| Complexity | 1226.3544 |
Chemical Identifiers
| CAS Number | 311320-34-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N |
Product Overview
A1235/0056806 (CAS 311320-34-0), with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol. IUPAC: 2-amino-4-(5-tert-butylthiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A1235/0056806
Property Insights of A1235/0056806
The XLogP value of 5.25858 indicates that A1235/0056806 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for A1235/0056806. Following Lipinski's Rule of Five, A1235/0056806 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1235/0056806?
The CAS number of A1235/0056806 is 311320-34-0.
What is the molecular formula of A1235/0056806?
The molecular formula of A1235/0056806 is C24H24N4O3S.
What is the molecular weight of A1235/0056806?
The molecular weight of A1235/0056806 is 448.16 g/mol.
Where can I buy A1235/0056806?
You can request a quote for A1235/0056806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1235/0056806?
Yes, KEHONG BIO provides custom synthesis services for A1235/0056806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.