F1142-4680
TL;DR: F1142-4680 (CAS 453583-02-3) is a chemical compound with molecular formula C20H17ClF3N3OS2 and molecular weight 471.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: F1142-4680, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}sulfanyl)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C20H17ClF3N3OS2 |
|---|---|
| Molecular Weight | 471.05 g/mol |
| LogP | 6.28152 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.04538 |
| Heavy Atoms | 30 |
| Complexity | 1130.6627 |
Chemical Identifiers
| CAS Number | 453583-02-3 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
F1142-4680 (CAS 453583-02-3), with molecular formula C20H17ClF3N3OS2 and molecular weight 471.05 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of F1142-4680
Property Insights of F1142-4680
The XLogP value of 6.28152 indicates that F1142-4680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, F1142-4680 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1142-4680 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 F1142-4680?
The CAS number of F1142-4680 is 453583-02-3.
What is the molecular formula of F1142-4680?
The molecular formula of F1142-4680 is C20H17ClF3N3OS2.
What is the molecular weight of F1142-4680?
The molecular weight of F1142-4680 is 471.05 g/mol.
Where can I buy F1142-4680?
You can request a quote for F1142-4680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1142-4680?
Yes, KEHONG BIO provides custom synthesis services for F1142-4680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.