7N-704
TL;DR: 7N-704 (CAS 339019-95-3) is a chemical compound with molecular formula C17H11F3N2OS3 and molecular weight 412.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1,3-benzothiazol-2-yl) 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carbothioate
Also Known As: 7N-704, S-(1,3-benzothiazol-2-yl) 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-3-pyridinecarbothioate, (1,3-benzothiazol-2-ylsulfanyl)({2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridin-3-yl})methanone, S-(1,3-benzothiazol-2-yl) 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carbothioate, Benzothiazol-2-ylsulfanyl-[2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridin-3-yl]methanone
| Molecular Formula | C17H11F3N2OS3 |
|---|---|
| Molecular Weight | 412.00 g/mol |
| LogP | 6.1836 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.99857 |
| Heavy Atoms | 26 |
| Complexity | 937.55133 |
Chemical Identifiers
| CAS Number | 339019-95-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC(=O)C3=C(N=CC=C3)SCCC(=C(F)F)F |
Product Overview
7N-704 (CAS 339019-95-3), with molecular formula C17H11F3N2OS3 and molecular weight 412.00 g/mol. IUPAC: S-(1,3-benzothiazol-2-yl) 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carbothioate.
Chemical Property Profile of 7N-704
Property Insights of 7N-704
The XLogP value of 6.1836 indicates that 7N-704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 7N-704 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7N-704 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7N-704?
The CAS number of 7N-704 is 339019-95-3.
What is the molecular formula of 7N-704?
The molecular formula of 7N-704 is C17H11F3N2OS3.
What is the molecular weight of 7N-704?
The molecular weight of 7N-704 is 412.00 g/mol.
Where can I buy 7N-704?
You can request a quote for 7N-704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-704?
Yes, KEHONG BIO provides custom synthesis services for 7N-704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.