A1407/0062885
TL;DR: A1407/0062885 (CAS 354796-77-3) is a chemical compound with molecular formula C25H27N3OS and molecular weight 417.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1407/0062885, 2-amino-4-(5-tert-butylthien-2-yl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-4-(5-(tert-butyl)thiophen-2-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(5-tert-butyl-2-thienyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C25H27N3OS |
|---|---|
| Molecular Weight | 417.19 g/mol |
| LogP | 5.6588 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.18747 |
| Heavy Atoms | 30 |
| Complexity | 1106.4979 |
Chemical Identifiers
| CAS Number | 354796-77-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)CCC3 |
Product Overview
A1407/0062885 (CAS 354796-77-3), with molecular formula C25H27N3OS and molecular weight 417.19 g/mol. IUPAC: 2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A1407/0062885
Property Insights of A1407/0062885
The XLogP value of 5.6588 indicates that A1407/0062885 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for A1407/0062885. Following Lipinski's Rule of Five, A1407/0062885 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1407/0062885?
The CAS number of A1407/0062885 is 354796-77-3.
What is the molecular formula of A1407/0062885?
The molecular formula of A1407/0062885 is C25H27N3OS.
What is the molecular weight of A1407/0062885?
The molecular weight of A1407/0062885 is 417.19 g/mol.
Where can I buy A1407/0062885?
You can request a quote for A1407/0062885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1407/0062885?
Yes, KEHONG BIO provides custom synthesis services for A1407/0062885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.