11H-013
TL;DR: 11H-013 (CAS 303151-86-2) is a chemical compound with molecular formula C18H6ClF9N6S and molecular weight 543.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazol-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
Also Known As: 11H-013, 7-(3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-2,4-bis(trifluoromethyl)[1,8]naphthyridine, 7-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1H-1,2,4-triazol-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine, 7-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2,4-triazol-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine, 1,8-NAPHTHYRIDINE, 7-[3-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]THIO]-1H-1,2,4-TRIAZOL-1-YL]-2,4-BIS(TRIFLUOROMETHYL)-
| Molecular Formula | C18H6ClF9N6S |
|---|---|
| Molecular Weight | 543.99 g/mol |
| LogP | 6.4665 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 543.99194 |
| Heavy Atoms | 35 |
| Complexity | 1414.5859 |
Chemical Identifiers
| CAS Number | 303151-86-2 |
|---|---|
| SMILES | C1=CC(=NC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)N3C=NC(=N3)SC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
11H-013 (CAS 303151-86-2), with molecular formula C18H6ClF9N6S and molecular weight 543.99 g/mol. IUPAC: 7-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazol-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine.
Chemical Property Profile of 11H-013
Property Insights of 11H-013
The XLogP value of 6.4665 indicates that 11H-013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 11H-013. Following Lipinski's Rule of Five, 11H-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 11H-013?
The CAS number of 11H-013 is 303151-86-2.
What is the molecular formula of 11H-013?
The molecular formula of 11H-013 is C18H6ClF9N6S.
What is the molecular weight of 11H-013?
The molecular weight of 11H-013 is 543.99 g/mol.
Where can I buy 11H-013?
You can request a quote for 11H-013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-013?
Yes, KEHONG BIO provides custom synthesis services for 11H-013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.