BAS 01029108
TL;DR: BAS 01029108 (CAS 5952-66-9) is a chemical compound with molecular formula C23H22BrNO5 and molecular weight 471.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoic acid
Also Known As: BAS 01029108, BIM-0038895.P001, 6-[(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoic acid, 6-{(3Z)-3-[(4-Bromophenyl)(hydroxy)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}hexanoic acid
| Molecular Formula | C23H22BrNO5 |
|---|---|
| Molecular Weight | 471.07 g/mol |
| LogP | 4.5158 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.06815 |
| Heavy Atoms | 30 |
| Complexity | 968.8478 |
Chemical Identifiers
| CAS Number | 5952-66-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)Br)/O)/C(=O)C(=O)N2CCCCCC(=O)O |
Product Overview
BAS 01029108 (CAS 5952-66-9), with molecular formula C23H22BrNO5 and molecular weight 471.07 g/mol. IUPAC: 6-[(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoic acid.
Chemical Property Profile of BAS 01029108
Property Insights of BAS 01029108
The XLogP value of 4.5158 indicates that BAS 01029108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029108. Following Lipinski's Rule of Five, BAS 01029108 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 01029108?
The CAS number of BAS 01029108 is 5952-66-9.
What is the molecular formula of BAS 01029108?
The molecular formula of BAS 01029108 is C23H22BrNO5.
What is the molecular weight of BAS 01029108?
The molecular weight of BAS 01029108 is 471.07 g/mol.
Where can I buy BAS 01029108?
You can request a quote for BAS 01029108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029108?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.