A1782/0075567
TL;DR: A1782/0075567 (CAS 312285-49-7) is a chemical compound with molecular formula C28H29N3O3S and molecular weight 487.19 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-phenyl-4,6,7,8-tetrahydroquinolin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: A1782/0075567, ethyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-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-phenyl-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-phenyl-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-PHENYL-1,4,5,6,7,8-HEXAHYDROQUINOLIN-1-YL)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C28H29N3O3S |
|---|---|
| Molecular Weight | 487.19 g/mol |
| LogP | 5.49848 |
| Topological Polar Surface Area | 96.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.19296 |
| Heavy Atoms | 35 |
| Complexity | 1282.5062 |
Chemical Identifiers
| CAS Number | 312285-49-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=CC=C5)C(=O)CCC4 |
Product Overview
A1782/0075567 (CAS 312285-49-7), with molecular formula C28H29N3O3S and molecular weight 487.19 g/mol. IUPAC: ethyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinolin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of A1782/0075567
Property Insights of A1782/0075567
The XLogP value of 5.49848 indicates that A1782/0075567 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.42 Ų falls within the moderate polarity range, balancing permeability and solubility for A1782/0075567. Following Lipinski's Rule of Five, A1782/0075567 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 A1782/0075567?
The CAS number of A1782/0075567 is 312285-49-7.
What is the molecular formula of A1782/0075567?
The molecular formula of A1782/0075567 is C28H29N3O3S.
What is the molecular weight of A1782/0075567?
The molecular weight of A1782/0075567 is 487.19 g/mol.
Where can I buy A1782/0075567?
You can request a quote for A1782/0075567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1782/0075567?
Yes, KEHONG BIO provides custom synthesis services for A1782/0075567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.