C12H9ClF3NO3S
TL;DR: C12H9ClF3NO3S (CAS 302950-44-3) is a chemical compound with molecular formula C12H9ClF3NO3S and molecular weight 338.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2,2,2-trifluoroacetamide
Also Known As: BIM-0005555.P001, VU0508988-1, F3095-3330, N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydro-1lambda6-thiophen-3-yl)-2,2,2-trifluoroacetamide, N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2,2,2-trifluoroacetamide
| Molecular Formula | C12H9ClF3NO3S |
|---|---|
| Molecular Weight | 338.99 g/mol |
| LogP | 2.546 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.9944 |
| Heavy Atoms | 21 |
| Complexity | 682.69434 |
Chemical Identifiers
| CAS Number | 302950-44-3 |
|---|---|
| SMILES | C1C(C=CS1(=O)=O)N(C2=CC=C(C=C2)Cl)C(=O)C(F)(F)F |
Product Overview
C12H9ClF3NO3S (CAS 302950-44-3), with molecular formula C12H9ClF3NO3S and molecular weight 338.99 g/mol. IUPAC: N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of C12H9ClF3NO3S
Property Insights of C12H9ClF3NO3S
The XLogP value of 2.546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H9ClF3NO3S. With a topological polar surface area (TPSA) of 54.45 Ų, C12H9ClF3NO3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H9ClF3NO3S has 0 hydrogen bond donor(s) and 3 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 C12H9ClF3NO3S?
The CAS number of C12H9ClF3NO3S is 302950-44-3.
What is the molecular formula of C12H9ClF3NO3S?
The molecular formula of C12H9ClF3NO3S is C12H9ClF3NO3S.
What is the molecular weight of C12H9ClF3NO3S?
The molecular weight of C12H9ClF3NO3S is 338.99 g/mol.
Where can I buy C12H9ClF3NO3S?
You can request a quote for C12H9ClF3NO3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H9ClF3NO3S?
Yes, KEHONG BIO provides custom synthesis services for C12H9ClF3NO3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.