ChemDiv3_005318
TL;DR: ChemDiv3_005318 (CAS 470472-83-4) is a chemical compound with molecular formula C26H28N2O3 and molecular weight 416.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzhydrylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: ChemDiv3_005318, IDI1_023228, BRD-A98286490-001-01-0, 3-(4-benzhydrylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(4-benzhydryl-1-piperazinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C26H28N2O3 |
|---|---|
| Molecular Weight | 416.21 g/mol |
| LogP | 3.4431 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.21 |
| Heavy Atoms | 31 |
| Complexity | 927.1613 |
Chemical Identifiers
| CAS Number | 470472-83-4 |
|---|---|
| SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4C5CC(C4C(=O)O)C=C5 |
Product Overview
ChemDiv3_005318 (CAS 470472-83-4), with molecular formula C26H28N2O3 and molecular weight 416.21 g/mol. IUPAC: 3-(4-benzhydrylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of ChemDiv3_005318
Property Insights of ChemDiv3_005318
The XLogP value of 3.4431 indicates that ChemDiv3_005318 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005318. Following Lipinski's Rule of Five, ChemDiv3_005318 has 1 hydrogen bond donor(s) and 3 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 ChemDiv3_005318?
The CAS number of ChemDiv3_005318 is 470472-83-4.
What is the molecular formula of ChemDiv3_005318?
The molecular formula of ChemDiv3_005318 is C26H28N2O3.
What is the molecular weight of ChemDiv3_005318?
The molecular weight of ChemDiv3_005318 is 416.21 g/mol.
Where can I buy ChemDiv3_005318?
You can request a quote for ChemDiv3_005318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005318?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.