3H-057
TL;DR: 3H-057 (CAS 338407-37-7) is a chemical compound with molecular formula C13H9ClF3N3O2S and molecular weight 363.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpyrrole-2-sulfonamide
Also Known As: 3H-057, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-propynyl)-1H-pyrrole-2-sulfonamide, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-prop-2-ynylpyrrole-2-sulfonamide, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(prop-2-yn-1-yl)-1H-pyrrole-2-sulfonamide, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-prop-2-ynyl-pyrrole-2-sulfonamide
| Molecular Formula | C13H9ClF3N3O2S |
|---|---|
| Molecular Weight | 363.01 g/mol |
| LogP | 2.456 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.0056 |
| Heavy Atoms | 23 |
| Complexity | 869.3204 |
Chemical Identifiers
| CAS Number | 338407-37-7 |
|---|---|
| SMILES | C#CCNS(=O)(=O)C1=CC=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
3H-057 (CAS 338407-37-7), with molecular formula C13H9ClF3N3O2S and molecular weight 363.01 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpyrrole-2-sulfonamide.
Chemical Property Profile of 3H-057
Property Insights of 3H-057
The XLogP value of 2.456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-057. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-057. Following Lipinski's Rule of Five, 3H-057 has 1 hydrogen bond donor(s) and 3 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 3H-057?
The CAS number of 3H-057 is 338407-37-7.
What is the molecular formula of 3H-057?
The molecular formula of 3H-057 is C13H9ClF3N3O2S.
What is the molecular weight of 3H-057?
The molecular weight of 3H-057 is 363.01 g/mol.
Where can I buy 3H-057?
You can request a quote for 3H-057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-057?
Yes, KEHONG BIO provides custom synthesis services for 3H-057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.