3H-021
TL;DR: 3H-021 (CAS 338406-90-9) is a chemical compound with molecular formula C18H13ClF3N3O4S and molecular weight 459.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-sulfonate
Also Known As: 3H-021, 4-(acetylamino)phenyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-sulfonate, (4-acetamidophenyl) 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-sulfonate, 4-acetamidophenyl 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-sulfonate, N-[4-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]sulfonyloxyphenyl]acetamide
| Molecular Formula | C18H13ClF3N3O4S |
|---|---|
| Molecular Weight | 459.03 g/mol |
| LogP | 4.2706 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.02673 |
| Heavy Atoms | 30 |
| Complexity | 1192.1309 |
Chemical Identifiers
| CAS Number | 338406-90-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3H-021 (CAS 338406-90-9), with molecular formula C18H13ClF3N3O4S and molecular weight 459.03 g/mol. IUPAC: (4-acetamidophenyl) 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-sulfonate.
Chemical Property Profile of 3H-021
Property Insights of 3H-021
The XLogP value of 4.2706 indicates that 3H-021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-021. Following Lipinski's Rule of Five, 3H-021 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 3H-021?
The CAS number of 3H-021 is 338406-90-9.
What is the molecular formula of 3H-021?
The molecular formula of 3H-021 is C18H13ClF3N3O4S.
What is the molecular weight of 3H-021?
The molecular weight of 3H-021 is 459.03 g/mol.
Where can I buy 3H-021?
You can request a quote for 3H-021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-021?
Yes, KEHONG BIO provides custom synthesis services for 3H-021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.