2,6-Bis-trichlormethyl-pyridin
TL;DR: 2,6-Bis-trichlormethyl-pyridin (CAS 6969-59-1) is a chemical compound with molecular formula C12H10N4O6S3 and molecular weight 401.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylidenebutanoic acid
Also Known As: 2,6-Bis-trichlormethyl-pyridin, 4-((5-((4-Nitrophenyl)sulfonyl)-1,3,4-thiadiazol-2-yl)amino)-4-thioxobutanoic acid, 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4, 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylidenebutanoic acid, 4-{[5-(4-Nitrobenzene-1-sulfonyl)-1,3,4-thiadiazol-2-yl]amino}-4-sulfanylidenebutanoic acid
| Molecular Formula | C12H10N4O6S3 |
|---|---|
| Molecular Weight | 401.98 g/mol |
| LogP | 1.8832 |
| Topological Polar Surface Area | 152.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.97626 |
| Heavy Atoms | 25 |
| Complexity | 922.5821 |
Chemical Identifiers
| CAS Number | 6969-59-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=NN=C(S2)NC(=S)CCC(=O)O |
Product Overview
2,6-Bis-trichlormethyl-pyridin (CAS 6969-59-1), with molecular formula C12H10N4O6S3 and molecular weight 401.98 g/mol. IUPAC: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylidenebutanoic acid.
Chemical Property Profile of 2,6-Bis-trichlormethyl-pyridin
Property Insights of 2,6-Bis-trichlormethyl-pyridin
The XLogP value of 1.8832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Bis-trichlormethyl-pyridin. The TPSA of 152.39 Ų indicates high polarity, suggesting 2,6-Bis-trichlormethyl-pyridin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-Bis-trichlormethyl-pyridin has 2 hydrogen bond donor(s) and 9 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 2,6-Bis-trichlormethyl-pyridin?
The CAS number of 2,6-Bis-trichlormethyl-pyridin is 6969-59-1.
What is the molecular formula of 2,6-Bis-trichlormethyl-pyridin?
The molecular formula of 2,6-Bis-trichlormethyl-pyridin is C12H10N4O6S3.
What is the molecular weight of 2,6-Bis-trichlormethyl-pyridin?
The molecular weight of 2,6-Bis-trichlormethyl-pyridin is 401.98 g/mol.
Where can I buy 2,6-Bis-trichlormethyl-pyridin?
You can request a quote for 2,6-Bis-trichlormethyl-pyridin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis-trichlormethyl-pyridin?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis-trichlormethyl-pyridin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.