A1782/0075566
TL;DR: A1782/0075566 (CAS 312285-48-6) is a chemical compound with molecular formula C28H27FN4OS and molecular weight 486.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: A1782/0075566, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl cyanide, 2-AMINO-1-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIEN-2-YL)-4-(4-FLUOROPHENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C28H27FN4OS |
|---|---|
| Molecular Weight | 486.19 g/mol |
| LogP | 5.96866 |
| Topological Polar Surface Area | 93.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 486.18896 |
| Heavy Atoms | 35 |
| Complexity | 1367.2782 |
Chemical Identifiers
| CAS Number | 312285-48-6 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C#N)N)C#N)C5=CC=C(C=C5)F)C(=O)C1)C |
Product Overview
A1782/0075566 (CAS 312285-48-6), with molecular formula C28H27FN4OS and molecular weight 486.19 g/mol. IUPAC: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of A1782/0075566
Property Insights of A1782/0075566
The XLogP value of 5.96866 indicates that A1782/0075566 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A1782/0075566. Following Lipinski's Rule of Five, A1782/0075566 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1782/0075566?
The CAS number of A1782/0075566 is 312285-48-6.
What is the molecular formula of A1782/0075566?
The molecular formula of A1782/0075566 is C28H27FN4OS.
What is the molecular weight of A1782/0075566?
The molecular weight of A1782/0075566 is 486.19 g/mol.
Where can I buy A1782/0075566?
You can request a quote for A1782/0075566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1782/0075566?
Yes, KEHONG BIO provides custom synthesis services for A1782/0075566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.