A1702/0072477
TL;DR: A1702/0072477 (CAS 311797-47-4) is a chemical compound with molecular formula C26H23N5O3S and molecular weight 485.15 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-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1702/0072477, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-YL)-4-(3-N itrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-AMINO-1-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIEN-2-YL)-4-(3-N ITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C26H23N5O3S |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 5.10166 |
| Topological Polar Surface Area | 137.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.15216 |
| Heavy Atoms | 35 |
| Complexity | 1404.9095 |
Chemical Identifiers
| CAS Number | 311797-47-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)N3C4=C(C(C(=C3N)C#N)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)CCC4 |
Product Overview
A1702/0072477 (CAS 311797-47-4), with molecular formula C26H23N5O3S and molecular weight 485.15 g/mol. IUPAC: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A1702/0072477
Property Insights of A1702/0072477
The XLogP value of 5.10166 indicates that A1702/0072477 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A1702/0072477. Following Lipinski's Rule of Five, A1702/0072477 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1702/0072477?
The CAS number of A1702/0072477 is 311797-47-4.
What is the molecular formula of A1702/0072477?
The molecular formula of A1702/0072477 is C26H23N5O3S.
What is the molecular weight of A1702/0072477?
The molecular weight of A1702/0072477 is 485.15 g/mol.
Where can I buy A1702/0072477?
You can request a quote for A1702/0072477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1702/0072477?
Yes, KEHONG BIO provides custom synthesis services for A1702/0072477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.