F0820-0488
TL;DR: F0820-0488 (CAS 302950-83-0) is a chemical compound with molecular formula C18H22BrN3O2S and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: F0820-0488, 1-((4-allyl-5-((4-bromophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one, A3029/0127791, 1-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one, 1-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
| Molecular Formula | C18H22BrN3O2S |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 4.5129 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.0616 |
| Heavy Atoms | 25 |
| Complexity | 735.7697 |
Chemical Identifiers
| CAS Number | 302950-83-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)COC2=CC=C(C=C2)Br |
Product Overview
F0820-0488 (CAS 302950-83-0), with molecular formula C18H22BrN3O2S and molecular weight 423.06 g/mol. IUPAC: 1-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of F0820-0488
Property Insights of F0820-0488
The XLogP value of 4.5129 indicates that F0820-0488 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, F0820-0488 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0820-0488 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 F0820-0488?
The CAS number of F0820-0488 is 302950-83-0.
What is the molecular formula of F0820-0488?
The molecular formula of F0820-0488 is C18H22BrN3O2S.
What is the molecular weight of F0820-0488?
The molecular weight of F0820-0488 is 423.06 g/mol.
Where can I buy F0820-0488?
You can request a quote for F0820-0488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0820-0488?
Yes, KEHONG BIO provides custom synthesis services for F0820-0488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.