F1142-3996
TL;DR: F1142-3996 (CAS 496026-23-4) is a chemical compound with molecular formula C24H16ClF4N3O2S2 and molecular weight 553.03 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-[5-(4-fluorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: F1142-3996, AF-399/40953878, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 2-((3-allyl-5-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C24H16ClF4N3O2S2 |
|---|---|
| Molecular Weight | 553.03 g/mol |
| LogP | 6.8531 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 553.0309 |
| Heavy Atoms | 36 |
| Complexity | 1515.0581 |
Chemical Identifiers
| CAS Number | 496026-23-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)SC=C2C4=CC=C(C=C4)F |
Product Overview
F1142-3996 (CAS 496026-23-4), with molecular formula C24H16ClF4N3O2S2 and molecular weight 553.03 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of F1142-3996
Property Insights of F1142-3996
The XLogP value of 6.8531 indicates that F1142-3996 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 F1142-3996. Following Lipinski's Rule of Five, F1142-3996 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 F1142-3996?
The CAS number of F1142-3996 is 496026-23-4.
What is the molecular formula of F1142-3996?
The molecular formula of F1142-3996 is C24H16ClF4N3O2S2.
What is the molecular weight of F1142-3996?
The molecular weight of F1142-3996 is 553.03 g/mol.
Where can I buy F1142-3996?
You can request a quote for F1142-3996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1142-3996?
Yes, KEHONG BIO provides custom synthesis services for F1142-3996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.