BIM-0048497.P001
TL;DR: BIM-0048497.P001 (CAS 438477-17-9) is a chemical compound with molecular formula C28H30N2O4 and molecular weight 458.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
Also Known As: BIM-0048497.P001, piperazine-1,4-diylbis{[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methanone}, [4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone, 4-(4-{4-[4-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)BENZOYL]PIPERAZINE-1-CARBONYL}PHENYL)-2-METHYLBUT-3-YN-2-OL
| Molecular Formula | C28H30N2O4 |
|---|---|
| Molecular Weight | 458.22 g/mol |
| LogP | 2.5296 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.22055 |
| Heavy Atoms | 34 |
| Complexity | 1058.8679 |
Chemical Identifiers
| CAS Number | 438477-17-9 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#CC(C)(C)O)O |
Product Overview
BIM-0048497.P001 (CAS 438477-17-9), with molecular formula C28H30N2O4 and molecular weight 458.22 g/mol. IUPAC: [4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone.
Chemical Property Profile of BIM-0048497.P001
Property Insights of BIM-0048497.P001
The XLogP value of 2.5296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0048497.P001. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0048497.P001. Following Lipinski's Rule of Five, BIM-0048497.P001 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 BIM-0048497.P001?
The CAS number of BIM-0048497.P001 is 438477-17-9.
What is the molecular formula of BIM-0048497.P001?
The molecular formula of BIM-0048497.P001 is C28H30N2O4.
What is the molecular weight of BIM-0048497.P001?
The molecular weight of BIM-0048497.P001 is 458.22 g/mol.
Where can I buy BIM-0048497.P001?
You can request a quote for BIM-0048497.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0048497.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0048497.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.