BAS 00753519
TL;DR: BAS 00753519 (CAS 331637-41-3) is a chemical compound with molecular formula C21H17Cl2NO3 and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-methyl-5-oxo-1-phenylpyrrole-3-carboxylate
Also Known As: BAS 00753519, ethyl 4-(3,4-dichlorobenzylidene)-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate, (Z)-ethyl 4-(3,4-dichlorobenzylidene)-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate, ethyl (4Z)-4-(3,4-dichlorobenzylidene)-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate, ETHYL (4Z)-4-[(3,4-DICHLOROPHENYL)METHYLIDENE]-2-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C21H17Cl2NO3 |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 5.2607 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.05856 |
| Heavy Atoms | 27 |
| Complexity | 964.647 |
Chemical Identifiers
| CAS Number | 331637-41-3 |
|---|---|
| SMILES | CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3)C |
Product Overview
BAS 00753519 (CAS 331637-41-3), with molecular formula C21H17Cl2NO3 and molecular weight 401.06 g/mol. IUPAC: ethyl (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-methyl-5-oxo-1-phenylpyrrole-3-carboxylate.
Chemical Property Profile of BAS 00753519
Property Insights of BAS 00753519
The XLogP value of 5.2607 indicates that BAS 00753519 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, BAS 00753519 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00753519 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00753519?
The CAS number of BAS 00753519 is 331637-41-3.
What is the molecular formula of BAS 00753519?
The molecular formula of BAS 00753519 is C21H17Cl2NO3.
What is the molecular weight of BAS 00753519?
The molecular weight of BAS 00753519 is 401.06 g/mol.
Where can I buy BAS 00753519?
You can request a quote for BAS 00753519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00753519?
Yes, KEHONG BIO provides custom synthesis services for BAS 00753519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.