3K-005
TL;DR: 3K-005 (CAS 338412-13-8) is a chemical compound with molecular formula C22H14F6N4O3S and molecular weight 528.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-(pyridin-3-ylmethyl)benzenesulfonamide
Also Known As: 3K-005, 4-{[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]oxy}-N-(3-pyridinylmethyl)benzenesulfonamide, 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-(pyridin-3-ylmethyl)benzenesulfonamide, 4-((5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl)oxy)-N-(pyridin-3-ylmethyl)benzenesulfonamide, 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-(p
| Molecular Formula | C22H14F6N4O3S |
|---|---|
| Molecular Weight | 528.07 g/mol |
| LogP | 5.3332 |
| Topological Polar Surface Area | 94.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.0691 |
| Heavy Atoms | 36 |
| Complexity | 1492.9954 |
Chemical Identifiers
| CAS Number | 338412-13-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=C(C=C2)OC3=NC4=C(C=C3)C(=CC(=N4)C(F)(F)F)C(F)(F)F |
Product Overview
3K-005 (CAS 338412-13-8), with molecular formula C22H14F6N4O3S and molecular weight 528.07 g/mol. IUPAC: 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
Chemical Property Profile of 3K-005
Property Insights of 3K-005
The XLogP value of 5.3332 indicates that 3K-005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3K-005. Following Lipinski's Rule of Five, 3K-005 has 1 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 3K-005?
The CAS number of 3K-005 is 338412-13-8.
What is the molecular formula of 3K-005?
The molecular formula of 3K-005 is C22H14F6N4O3S.
What is the molecular weight of 3K-005?
The molecular weight of 3K-005 is 528.07 g/mol.
Where can I buy 3K-005?
You can request a quote for 3K-005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3K-005?
Yes, KEHONG BIO provides custom synthesis services for 3K-005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.