3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
TL;DR: 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate (CAS 338398-98-4) is a chemical compound with molecular formula C13H5Cl2F2N5O2 and molecular weight 370.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dichloro-2,6-difluoro-4-pyridinyl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
Also Known As: 2H-472S, 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate, (3,5-dichloro-2,6-difluoropyridin-4-yl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate, 3,5-dichloro-2,6-difluoropyridin-4-yl 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carboxylate
| Molecular Formula | C13H5Cl2F2N5O2 |
|---|---|
| Molecular Weight | 370.98 g/mol |
| LogP | 2.8615 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.97885 |
| Heavy Atoms | 24 |
| Complexity | 877.4756 |
Chemical Identifiers
| CAS Number | 338398-98-4 |
|---|---|
| SMILES | C1=CC(=NC=C1C(=O)OC2=C(C(=NC(=C2Cl)F)F)Cl)N3C=NC=N3 |
Product Overview
3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate (CAS 338398-98-4), with molecular formula C13H5Cl2F2N5O2 and molecular weight 370.98 g/mol. IUPAC: (3,5-dichloro-2,6-difluoro-4-pyridinyl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate.
Chemical Property Profile of 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
Property Insights of 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
The XLogP value of 2.8615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate. Following Lipinski's Rule of Five, 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The CAS number of 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is 338398-98-4.
What is the molecular formula of 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The molecular formula of 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is C13H5Cl2F2N5O2.
What is the molecular weight of 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The molecular weight of 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is 370.98 g/mol.
Where can I buy 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
You can request a quote for 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dichloro-2,6-difluoro-4-pyridinyl 6-(1H-1,2,4-triazol-1-yl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.