F0509-4749
TL;DR: F0509-4749 (CAS 393573-03-0) is a chemical compound with molecular formula C21H23BrN4O2S2 and molecular weight 506.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
Also Known As: F0509-4749, (1R,3R,5S)-N-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide, N-[5-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide, N-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide, N-[5-[(4-bromophenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
| Molecular Formula | C21H23BrN4O2S2 |
|---|---|
| Molecular Weight | 506.04 g/mol |
| LogP | 5.1863 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.0446 |
| Heavy Atoms | 30 |
| Complexity | 926.88666 |
Chemical Identifiers
| CAS Number | 393573-03-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC(=O)NC5=CC=C(C=C5)Br |
Product Overview
F0509-4749 (CAS 393573-03-0), with molecular formula C21H23BrN4O2S2 and molecular weight 506.04 g/mol. IUPAC: N-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide.
Chemical Property Profile of F0509-4749
Property Insights of F0509-4749
The XLogP value of 5.1863 indicates that F0509-4749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for F0509-4749. Following Lipinski's Rule of Five, F0509-4749 has 2 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 F0509-4749?
The CAS number of F0509-4749 is 393573-03-0.
What is the molecular formula of F0509-4749?
The molecular formula of F0509-4749 is C21H23BrN4O2S2.
What is the molecular weight of F0509-4749?
The molecular weight of F0509-4749 is 506.04 g/mol.
Where can I buy F0509-4749?
You can request a quote for F0509-4749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0509-4749?
Yes, KEHONG BIO provides custom synthesis services for F0509-4749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.