BAS 01815121
TL;DR: BAS 01815121 (CAS 332394-95-3) is a chemical compound with molecular formula C23H21ClN2O7 and molecular weight 472.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid
Also Known As: BAS 01815121, BIM-0043686.P001, 6-(3-(4-chlorobenzoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid, 6-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid, 6-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid
| Molecular Formula | C23H21ClN2O7 |
|---|---|
| Molecular Weight | 472.10 g/mol |
| LogP | 4.3149 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.10373 |
| Heavy Atoms | 33 |
| Complexity | 1110.6348 |
Chemical Identifiers
| CAS Number | 332394-95-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCCCCC(=O)O)[N+](=O)[O-] |
Product Overview
BAS 01815121 (CAS 332394-95-3), with molecular formula C23H21ClN2O7 and molecular weight 472.10 g/mol. IUPAC: 6-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid.
Chemical Property Profile of BAS 01815121
Property Insights of BAS 01815121
The XLogP value of 4.3149 indicates that BAS 01815121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01815121. Following Lipinski's Rule of Five, BAS 01815121 has 2 hydrogen bond donor(s) and 6 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 01815121?
The CAS number of BAS 01815121 is 332394-95-3.
What is the molecular formula of BAS 01815121?
The molecular formula of BAS 01815121 is C23H21ClN2O7.
What is the molecular weight of BAS 01815121?
The molecular weight of BAS 01815121 is 472.10 g/mol.
Where can I buy BAS 01815121?
You can request a quote for BAS 01815121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01815121?
Yes, KEHONG BIO provides custom synthesis services for BAS 01815121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.