RefChem:463125
TL;DR: RefChem:463125 (CAS 311782-86-2) is a chemical compound with molecular formula C26H28BrN3OS and molecular weight 509.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: A1472/0064912, 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-1-(4-bromophenyl)-4-(5-(tert-butyl)thiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-bromophenyl)-4-(5-tert-butyl-2-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C26H28BrN3OS |
|---|---|
| Molecular Weight | 509.11 g/mol |
| LogP | 6.74898 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 509.11365 |
| Heavy Atoms | 32 |
| Complexity | 1188.8956 |
Chemical Identifiers
| CAS Number | 311782-86-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)C1)C |
Product Overview
RefChem:463125 (CAS 311782-86-2), with molecular formula C26H28BrN3OS and molecular weight 509.11 g/mol. IUPAC: 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463125
Property Insights of RefChem:463125
The XLogP value of 6.74898 indicates that RefChem:463125 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 RefChem:463125. Following Lipinski's Rule of Five, RefChem:463125 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 RefChem:463125?
The CAS number of RefChem:463125 is 311782-86-2.
What is the molecular formula of RefChem:463125?
The molecular formula of RefChem:463125 is C26H28BrN3OS.
What is the molecular weight of RefChem:463125?
The molecular weight of RefChem:463125 is 509.11 g/mol.
Where can I buy RefChem:463125?
You can request a quote for RefChem:463125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463125?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.