Pyrrolyl Aryl Sulfone (PAS) 8h
TL;DR: Pyrrolyl Aryl Sulfone (PAS) 8h (CAS 173908-37-7) is a chemical compound with molecular formula C14H15ClN2O4S and molecular weight 342.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Also Known As: Pyrrolyl Aryl Sulfone (PAS) 8h, Pyrrolyl Phenyl Sulfone deriv., 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, 1-methylethyl ester, Isopropyl 1-((2-Amino-5-chlorophenyl)sulfonyl)-1H-pyrrole-2-carboxylate, isopropyl 1-(2-amino-5-chloro-phenyl)sulfonylpyrrole-2-carboxylate
| Molecular Formula | C14H15ClN2O4S |
|---|---|
| Molecular Weight | 342.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.0441 |
| Heavy Atoms | 22 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 173908-37-7 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N |
| InChIKey | XYFHUOSUAQXPEP-UHFFFAOYSA-N |
Product Overview
Pyrrolyl Aryl Sulfone (PAS) 8h (CAS 173908-37-7), with molecular formula C14H15ClN2O4S and molecular weight 342.04 g/mol. IUPAC: propan-2-yl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate.
Chemical Property Profile of Pyrrolyl Aryl Sulfone (PAS) 8h
Property Insights of Pyrrolyl Aryl Sulfone (PAS) 8h
The XLogP value of 3.4 indicates that Pyrrolyl Aryl Sulfone (PAS) 8h is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolyl Aryl Sulfone (PAS) 8h. Following Lipinski's Rule of Five, Pyrrolyl Aryl Sulfone (PAS) 8h 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 Pyrrolyl Aryl Sulfone (PAS) 8h?
The CAS number of Pyrrolyl Aryl Sulfone (PAS) 8h is 173908-37-7.
What is the molecular formula of Pyrrolyl Aryl Sulfone (PAS) 8h?
The molecular formula of Pyrrolyl Aryl Sulfone (PAS) 8h is C14H15ClN2O4S.
What is the molecular weight of Pyrrolyl Aryl Sulfone (PAS) 8h?
The molecular weight of Pyrrolyl Aryl Sulfone (PAS) 8h is 342.04 g/mol.
Where can I buy Pyrrolyl Aryl Sulfone (PAS) 8h?
You can request a quote for Pyrrolyl Aryl Sulfone (PAS) 8h directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolyl Aryl Sulfone (PAS) 8h?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolyl Aryl Sulfone (PAS) 8h and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.