BIM-0046847.P001
TL;DR: BIM-0046847.P001 (CAS 489449-52-7) is a chemical compound with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzhydrylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: BIM-0046847.P001, 3-[(4-benzhydryl-1-piperazinyl)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(4-benzhydrylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-{[4-(diphenylmethyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-(4-benzhydrylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
| Molecular Formula | C25H28N2O4 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 2.7984 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.2049 |
| Heavy Atoms | 31 |
| Complexity | 887.55286 |
Chemical Identifiers
| CAS Number | 489449-52-7 |
|---|---|
| SMILES | C1CC2C(C(C1O2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O |
Product Overview
BIM-0046847.P001 (CAS 489449-52-7), with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol. IUPAC: 3-(4-benzhydrylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of BIM-0046847.P001
Property Insights of BIM-0046847.P001
The XLogP value of 2.7984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0046847.P001. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0046847.P001. Following Lipinski's Rule of Five, BIM-0046847.P001 has 1 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-0046847.P001?
The CAS number of BIM-0046847.P001 is 489449-52-7.
What is the molecular formula of BIM-0046847.P001?
The molecular formula of BIM-0046847.P001 is C25H28N2O4.
What is the molecular weight of BIM-0046847.P001?
The molecular weight of BIM-0046847.P001 is 420.20 g/mol.
Where can I buy BIM-0046847.P001?
You can request a quote for BIM-0046847.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046847.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046847.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.