ChemDiv3_005498
TL;DR: ChemDiv3_005498 (CAS 543721-95-5) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: ChemDiv3_005498, IDI1_023408, 6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid, BRD-A31864183-001-01-6, 3-cyclohexene-1-carboxylic acid, 6-[[4-[(2E)-3-phenyl-2-propenyl]-1-piperazinyl]carbonyl]-
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.511 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 675.7564 |
Chemical Identifiers
| CAS Number | 543721-95-5 |
|---|---|
| SMILES | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3CC=CCC3C(=O)O |
Product Overview
ChemDiv3_005498 (CAS 543721-95-5), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: 6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of ChemDiv3_005498
Property Insights of ChemDiv3_005498
The XLogP value of 2.511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_005498. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005498. Following Lipinski's Rule of Five, ChemDiv3_005498 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_005498?
The CAS number of ChemDiv3_005498 is 543721-95-5.
What is the molecular formula of ChemDiv3_005498?
The molecular formula of ChemDiv3_005498 is C21H26N2O3.
What is the molecular weight of ChemDiv3_005498?
The molecular weight of ChemDiv3_005498 is 354.19 g/mol.
Where can I buy ChemDiv3_005498?
You can request a quote for ChemDiv3_005498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005498?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.