12K-013
TL;DR: 12K-013 (CAS 306979-52-2) is a chemical compound with molecular formula C14H6Cl2F3N3OS2 and molecular weight 422.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]dithiazol-5-imine
Also Known As: 12K-013, ji{qC`J^FPDPZPmHNdBaCPclQdTTRRTtbbjtrcAQrtDDPUPIUHPDHh, N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}aniline, 4-chloro-N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]dithiazol-5-imine, ji{qC`J^FPDPZPmHNdBaCPclQdTTRRTtbbjtrcAQrt\DDPUPIUHPDHh
| Molecular Formula | C14H6Cl2F3N3OS2 |
|---|---|
| Molecular Weight | 422.93 g/mol |
| LogP | 5.9499 |
| Topological Polar Surface Area | 47.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.92813 |
| Heavy Atoms | 25 |
| Complexity | 972.1961 |
Chemical Identifiers
| CAS Number | 306979-52-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=C2C(=NSS2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
12K-013 (CAS 306979-52-2), with molecular formula C14H6Cl2F3N3OS2 and molecular weight 422.93 g/mol. IUPAC: 4-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]dithiazol-5-imine.
Chemical Property Profile of 12K-013
Property Insights of 12K-013
The XLogP value of 5.9499 indicates that 12K-013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.37 Ų, 12K-013 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12K-013 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 12K-013?
The CAS number of 12K-013 is 306979-52-2.
What is the molecular formula of 12K-013?
The molecular formula of 12K-013 is C14H6Cl2F3N3OS2.
What is the molecular weight of 12K-013?
The molecular weight of 12K-013 is 422.93 g/mol.
Where can I buy 12K-013?
You can request a quote for 12K-013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12K-013?
Yes, KEHONG BIO provides custom synthesis services for 12K-013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.