F0513-0122
TL;DR: F0513-0122 (CAS 362501-33-5) is a chemical compound with molecular formula C21H15BrF3N3O2S2 and molecular weight 540.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: F0513-0122, 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, 2-((3-(4-bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C21H15BrF3N3O2S2 |
|---|---|
| Molecular Weight | 540.97 g/mol |
| LogP | 5.3928 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.9741 |
| Heavy Atoms | 32 |
| Complexity | 1230.4401 |
Chemical Identifiers
| CAS Number | 362501-33-5 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Br)SCC(=O)NC4=CC=CC=C4C(F)(F)F |
Product Overview
F0513-0122 (CAS 362501-33-5), with molecular formula C21H15BrF3N3O2S2 and molecular weight 540.97 g/mol. IUPAC: 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of F0513-0122
Property Insights of F0513-0122
The XLogP value of 5.3928 indicates that F0513-0122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for F0513-0122. Following Lipinski's Rule of Five, F0513-0122 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0513-0122?
The CAS number of F0513-0122 is 362501-33-5.
What is the molecular formula of F0513-0122?
The molecular formula of F0513-0122 is C21H15BrF3N3O2S2.
What is the molecular weight of F0513-0122?
The molecular weight of F0513-0122 is 540.97 g/mol.
Where can I buy F0513-0122?
You can request a quote for F0513-0122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0513-0122?
Yes, KEHONG BIO provides custom synthesis services for F0513-0122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.