9N-351S
TL;DR: 9N-351S (CAS 478246-98-9) is a chemical compound with molecular formula C15H9F3OS2 and molecular weight 326.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]thieno[2,3-b]thiopyran-4-one
Also Known As: 9N-351S, (5Z)-5-{[3-(trifluoromethyl)phenyl]methylidene}-4H,5H,6H-thieno[2,3-b]thiopyran-4-one, 5-{(Z)-[3-(trifluoromethyl)phenyl]methylidene}-4H-thieno[2,3-b]thiopyran-4(6H)-one, (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]thieno[2,3-b]thiopyran-4-one, (5Z)-5-[[3-(trifluoromethyl)phenyl]methylene]thieno[2,3-b]thiopyran-4-one
| Molecular Formula | C15H9F3OS2 |
|---|---|
| Molecular Weight | 326.00 g/mol |
| LogP | 5.1389 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.0047 |
| Heavy Atoms | 21 |
| Complexity | 728.51514 |
Chemical Identifiers
| CAS Number | 478246-98-9 |
|---|---|
| SMILES | C1/C(=C\C2=CC(=CC=C2)C(F)(F)F)/C(=O)C3=C(S1)SC=C3 |
Product Overview
9N-351S (CAS 478246-98-9), with molecular formula C15H9F3OS2 and molecular weight 326.00 g/mol. IUPAC: (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]thieno[2,3-b]thiopyran-4-one.
Chemical Property Profile of 9N-351S
Property Insights of 9N-351S
The XLogP value of 5.1389 indicates that 9N-351S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 9N-351S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9N-351S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9N-351S?
The CAS number of 9N-351S is 478246-98-9.
What is the molecular formula of 9N-351S?
The molecular formula of 9N-351S is C15H9F3OS2.
What is the molecular weight of 9N-351S?
The molecular weight of 9N-351S is 326.00 g/mol.
Where can I buy 9N-351S?
You can request a quote for 9N-351S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-351S?
Yes, KEHONG BIO provides custom synthesis services for 9N-351S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.