A1766/0074871
TL;DR: A1766/0074871 (CAS 312281-23-5) is a chemical compound with molecular formula C26H24N4O5S and molecular weight 504.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A1766/0074871, methyl 2-(2-amino-3-cyano-4-{4-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-[2-AMINO-3-CYANO-4-(4-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLIN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C26H24N4O5S |
|---|---|
| Molecular Weight | 504.15 g/mol |
| LogP | 4.62648 |
| Topological Polar Surface Area | 139.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.14673 |
| Heavy Atoms | 36 |
| Complexity | 1396.5166 |
Chemical Identifiers
| CAS Number | 312281-23-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)CCC4 |
Product Overview
A1766/0074871 (CAS 312281-23-5), with molecular formula C26H24N4O5S and molecular weight 504.15 g/mol. IUPAC: methyl 2-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A1766/0074871
Property Insights of A1766/0074871
The XLogP value of 4.62648 indicates that A1766/0074871 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.56 Ų falls within the moderate polarity range, balancing permeability and solubility for A1766/0074871. Following Lipinski's Rule of Five, A1766/0074871 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1766/0074871?
The CAS number of A1766/0074871 is 312281-23-5.
What is the molecular formula of A1766/0074871?
The molecular formula of A1766/0074871 is C26H24N4O5S.
What is the molecular weight of A1766/0074871?
The molecular weight of A1766/0074871 is 504.15 g/mol.
Where can I buy A1766/0074871?
You can request a quote for A1766/0074871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1766/0074871?
Yes, KEHONG BIO provides custom synthesis services for A1766/0074871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.