BAS 13119343
TL;DR: BAS 13119343 (CAS 333776-82-2) is a chemical compound with molecular formula C21H18ClNO4 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Also Known As: BAS 13119343, 5-(4-chlorophenyl)-4-cinnamoyl-3-hydroxy-1-(2-hydroxyethyl)-1H-pyrrol-2(5H)-one, 2-(4-chlorophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one, 5-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C21H18ClNO4 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 3.3102 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.09244 |
| Heavy Atoms | 27 |
| Complexity | 903.5387 |
Chemical Identifiers
| CAS Number | 333776-82-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)CCO)O |
Product Overview
BAS 13119343 (CAS 333776-82-2), with molecular formula C21H18ClNO4 and molecular weight 383.09 g/mol. IUPAC: 2-(4-chlorophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.
Chemical Property Profile of BAS 13119343
Property Insights of BAS 13119343
The XLogP value of 3.3102 indicates that BAS 13119343 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13119343. Following Lipinski's Rule of Five, BAS 13119343 has 2 hydrogen bond donor(s) and 4 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 BAS 13119343?
The CAS number of BAS 13119343 is 333776-82-2.
What is the molecular formula of BAS 13119343?
The molecular formula of BAS 13119343 is C21H18ClNO4.
What is the molecular weight of BAS 13119343?
The molecular weight of BAS 13119343 is 383.09 g/mol.
Where can I buy BAS 13119343?
You can request a quote for BAS 13119343 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119343?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119343 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.