1H-054
TL;DR: 1H-054 (CAS 321430-91-5) is a chemical compound with molecular formula C17H13ClF3N3O2S2 and molecular weight 447.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
Also Known As: 1H-054, 5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide, 5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-N-(2-pyridinylmethyl)-2-thiophenesulfonamide, 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-N-[(pyridin-2-yl)methyl]thiophene-2-sulfonamide, 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
| Molecular Formula | C17H13ClF3N3O2S2 |
|---|---|
| Molecular Weight | 447.01 g/mol |
| LogP | 4.2796 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.00897 |
| Heavy Atoms | 28 |
| Complexity | 1070.7517 |
Chemical Identifiers
| CAS Number | 321430-91-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)CNS(=O)(=O)C2=CC=C(S2)CC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1H-054 (CAS 321430-91-5), with molecular formula C17H13ClF3N3O2S2 and molecular weight 447.01 g/mol. IUPAC: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.
Chemical Property Profile of 1H-054
Property Insights of 1H-054
The XLogP value of 4.2796 indicates that 1H-054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-054. Following Lipinski's Rule of Five, 1H-054 has 1 hydrogen bond donor(s) and 5 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 1H-054?
The CAS number of 1H-054 is 321430-91-5.
What is the molecular formula of 1H-054?
The molecular formula of 1H-054 is C17H13ClF3N3O2S2.
What is the molecular weight of 1H-054?
The molecular weight of 1H-054 is 447.01 g/mol.
Where can I buy 1H-054?
You can request a quote for 1H-054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-054?
Yes, KEHONG BIO provides custom synthesis services for 1H-054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.