NR2F1 agonist 1
TL;DR: NR2F1 agonist 1 (CAS 374101-64-1) is a chemical compound with molecular formula C28H30N4OS and molecular weight 470.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-ethylsulfanyl-12-(2-phenylethyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
Also Known As: NR2F1 agonist 1, ChemDiv1_024442, 1-(ethylsulfanyl)-4-(2-phenylethyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 1-(ethylthio)-4-(2-phenylethyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 1-(ethylthio)-4-phenethyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C28H30N4OS |
|---|---|
| Molecular Weight | 470.21 g/mol |
| LogP | 5.6707 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.21402 |
| Heavy Atoms | 34 |
| Complexity | 1399.4462 |
Chemical Identifiers
| CAS Number | 374101-64-1 |
|---|---|
| SMILES | CCSC1=NN=C2N1C3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63 |
Product Overview
NR2F1 agonist 1 (CAS 374101-64-1), with molecular formula C28H30N4OS and molecular weight 470.21 g/mol. IUPAC: 16-ethylsulfanyl-12-(2-phenylethyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.
Chemical Property Profile of NR2F1 agonist 1
Property Insights of NR2F1 agonist 1
The XLogP value of 5.6707 indicates that NR2F1 agonist 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, NR2F1 agonist 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NR2F1 agonist 1 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NR2F1 agonist 1?
The CAS number of NR2F1 agonist 1 is 374101-64-1.
What is the molecular formula of NR2F1 agonist 1?
The molecular formula of NR2F1 agonist 1 is C28H30N4OS.
What is the molecular weight of NR2F1 agonist 1?
The molecular weight of NR2F1 agonist 1 is 470.21 g/mol.
Where can I buy NR2F1 agonist 1?
You can request a quote for NR2F1 agonist 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NR2F1 agonist 1?
Yes, KEHONG BIO provides custom synthesis services for NR2F1 agonist 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.