VGE3BKR7CX
TL;DR: VGE3BKR7CX (CAS 173908-58-2) is a chemical compound with molecular formula C16H17ClN2O5S and molecular weight 384.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[5-chloro-2-(propanoylamino)phenyl]sulfonylpyrrole-2-carboxylate
Also Known As: Pyrrolyl Aryl Sulfone (PAS) 8t, Pyrrolyl Phenyl Sulfone deriv., NCI60_033848, 1H-Pyrrole-2-carboxylic acid, 1-((5-chloro-2-((1-oxopropyl)amino)phenyl)sulfonyl)-, ethyl ester, ethyl 1-[5-chloro-2-(propanoylamino)phenyl]sulfonylpyrrole-2-carboxylate
| Molecular Formula | C16H17ClN2O5S |
|---|---|
| Molecular Weight | 384.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.05466 |
| Heavy Atoms | 25 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 173908-58-2 |
|---|---|
| SMILES | CCC(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC |
| InChIKey | UCQSWSSAMLXKRN-UHFFFAOYSA-N |
Product Overview
VGE3BKR7CX (CAS 173908-58-2), with molecular formula C16H17ClN2O5S and molecular weight 384.05 g/mol. IUPAC: ethyl 1-[5-chloro-2-(propanoylamino)phenyl]sulfonylpyrrole-2-carboxylate.
Chemical Property Profile of VGE3BKR7CX
Property Insights of VGE3BKR7CX
The XLogP value of 3.3 indicates that VGE3BKR7CX is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VGE3BKR7CX. Following Lipinski's Rule of Five, VGE3BKR7CX 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 VGE3BKR7CX?
The CAS number of VGE3BKR7CX is 173908-58-2.
What is the molecular formula of VGE3BKR7CX?
The molecular formula of VGE3BKR7CX is C16H17ClN2O5S.
What is the molecular weight of VGE3BKR7CX?
The molecular weight of VGE3BKR7CX is 384.05 g/mol.
Where can I buy VGE3BKR7CX?
You can request a quote for VGE3BKR7CX directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VGE3BKR7CX?
Yes, KEHONG BIO provides custom synthesis services for VGE3BKR7CX and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.