F0630-0742
TL;DR: F0630-0742 (CAS 851802-10-3) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: F0630-0742, (3r,5r,7r)-adamantan-1-yl(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone, 1-(adamantane-1-carbonyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole, 1-adamantyl-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 4.2426 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 800.51825 |
Chemical Identifiers
| CAS Number | 851802-10-3 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
F0630-0742 (CAS 851802-10-3), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: 1-adamantyl-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of F0630-0742
Property Insights of F0630-0742
The XLogP value of 4.2426 indicates that F0630-0742 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0630-0742. Following Lipinski's Rule of Five, F0630-0742 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0630-0742?
The CAS number of F0630-0742 is 851802-10-3.
What is the molecular formula of F0630-0742?
The molecular formula of F0630-0742 is C21H25N3O3S.
What is the molecular weight of F0630-0742?
The molecular weight of F0630-0742 is 399.16 g/mol.
Where can I buy F0630-0742?
You can request a quote for F0630-0742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0630-0742?
Yes, KEHONG BIO provides custom synthesis services for F0630-0742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.