F0508-4399
TL;DR: F0508-4399 (CAS 392683-57-7) is a chemical compound with molecular formula C29H30BrN5O3S2 and molecular weight 639.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
Also Known As: F0508-4399, N-((5-((4-bromobenzyl)thio)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(piperidin-1-ylsulfonyl)benzamide, N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl]-4-(piperidine-1-sulfonyl)benzamide, N-[[5-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
| Molecular Formula | C29H30BrN5O3S2 |
|---|---|
| Molecular Weight | 639.10 g/mol |
| LogP | 5.73512 |
| Topological Polar Surface Area | 97.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 639.09735 |
| Heavy Atoms | 40 |
| Complexity | 1582.9159 |
Chemical Identifiers
| CAS Number | 392683-57-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5 |
Product Overview
F0508-4399 (CAS 392683-57-7), with molecular formula C29H30BrN5O3S2 and molecular weight 639.10 g/mol. IUPAC: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide.
Chemical Property Profile of F0508-4399
Property Insights of F0508-4399
The XLogP value of 5.73512 indicates that F0508-4399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.19 Ų falls within the moderate polarity range, balancing permeability and solubility for F0508-4399. Following Lipinski's Rule of Five, F0508-4399 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0508-4399?
The CAS number of F0508-4399 is 392683-57-7.
What is the molecular formula of F0508-4399?
The molecular formula of F0508-4399 is C29H30BrN5O3S2.
What is the molecular weight of F0508-4399?
The molecular weight of F0508-4399 is 639.10 g/mol.
Where can I buy F0508-4399?
You can request a quote for F0508-4399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0508-4399?
Yes, KEHONG BIO provides custom synthesis services for F0508-4399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.