A1782/0075565
TL;DR: A1782/0075565 (CAS 312285-47-5) is a chemical compound with molecular formula C27H28N4O3S and molecular weight 488.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-amino-3-cyano-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: A1782/0075565, ethyl 2-(2-amino-3-cyano-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[2-amino-3-cyano-5-oxo-4-(3-pyridinyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-[2-AMINO-3-CYANO-5-OXO-4-(PYRIDIN-3-YL)-1,4,5,6,7,8-HEXAHYDROQUINOLIN-1-YL]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C27H28N4O3S |
|---|---|
| Molecular Weight | 488.19 g/mol |
| LogP | 4.89348 |
| Topological Polar Surface Area | 109.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.1882 |
| Heavy Atoms | 35 |
| Complexity | 1285.4851 |
Chemical Identifiers
| CAS Number | 312285-47-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4 |
Product Overview
A1782/0075565 (CAS 312285-47-5), with molecular formula C27H28N4O3S and molecular weight 488.19 g/mol. IUPAC: ethyl 2-(2-amino-3-cyano-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of A1782/0075565
Property Insights of A1782/0075565
The XLogP value of 4.89348 indicates that A1782/0075565 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.31 Ų falls within the moderate polarity range, balancing permeability and solubility for A1782/0075565. Following Lipinski's Rule of Five, A1782/0075565 has 1 hydrogen bond donor(s) and 8 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 A1782/0075565?
The CAS number of A1782/0075565 is 312285-47-5.
What is the molecular formula of A1782/0075565?
The molecular formula of A1782/0075565 is C27H28N4O3S.
What is the molecular weight of A1782/0075565?
The molecular weight of A1782/0075565 is 488.19 g/mol.
Where can I buy A1782/0075565?
You can request a quote for A1782/0075565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1782/0075565?
Yes, KEHONG BIO provides custom synthesis services for A1782/0075565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.