3H-034
TL;DR: 3H-034 (CAS 338407-13-9) is a chemical compound with molecular formula C19H15ClF3N3O4S and molecular weight 473.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]sulfonylamino]benzoate
Also Known As: 3H-034, ethyl 3-[({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}sulfonyl)amino]benzenecarboxylate, ethyl 3-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]sulfonylamino]benzoate, ethyl 3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-sulfonamido}benzoate, ethyl3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-sulfonamido}benzoate
| Molecular Formula | C19H15ClF3N3O4S |
|---|---|
| Molecular Weight | 473.04 g/mol |
| LogP | 4.522 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.0424 |
| Heavy Atoms | 31 |
| Complexity | 1226.1311 |
Chemical Identifiers
| CAS Number | 338407-13-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3H-034 (CAS 338407-13-9), with molecular formula C19H15ClF3N3O4S and molecular weight 473.04 g/mol. IUPAC: ethyl 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]sulfonylamino]benzoate.
Chemical Property Profile of 3H-034
Property Insights of 3H-034
The XLogP value of 4.522 indicates that 3H-034 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-034. Following Lipinski's Rule of Five, 3H-034 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-034?
The CAS number of 3H-034 is 338407-13-9.
What is the molecular formula of 3H-034?
The molecular formula of 3H-034 is C19H15ClF3N3O4S.
What is the molecular weight of 3H-034?
The molecular weight of 3H-034 is 473.04 g/mol.
Where can I buy 3H-034?
You can request a quote for 3H-034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-034?
Yes, KEHONG BIO provides custom synthesis services for 3H-034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.