BAS 00702432
TL;DR: BAS 00702432 (CAS 313378-49-3) is a chemical compound with molecular formula C24H25N3O4 and molecular weight 419.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoic acid
Also Known As: BAS 00702432, 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid, (E)-4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid, 4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoic acid, 4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrrolidin-1-yl]benzoate
| Molecular Formula | C24H25N3O4 |
|---|---|
| Molecular Weight | 419.18 g/mol |
| LogP | 2.3477 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1845 |
| Heavy Atoms | 31 |
| Complexity | 979.6438 |
Chemical Identifiers
| CAS Number | 313378-49-3 |
|---|---|
| SMILES | C1CN(CCN1C/C=C/C2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O |
Product Overview
BAS 00702432 (CAS 313378-49-3), with molecular formula C24H25N3O4 and molecular weight 419.18 g/mol. IUPAC: 4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of BAS 00702432
Property Insights of BAS 00702432
The XLogP value of 2.3477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00702432. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00702432. Following Lipinski's Rule of Five, BAS 00702432 has 1 hydrogen bond donor(s) and 5 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 00702432?
The CAS number of BAS 00702432 is 313378-49-3.
What is the molecular formula of BAS 00702432?
The molecular formula of BAS 00702432 is C24H25N3O4.
What is the molecular weight of BAS 00702432?
The molecular weight of BAS 00702432 is 419.18 g/mol.
Where can I buy BAS 00702432?
You can request a quote for BAS 00702432 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00702432?
Yes, KEHONG BIO provides custom synthesis services for BAS 00702432 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.