BAS 00867023
TL;DR: BAS 00867023 (CAS 330865-45-7) is a chemical compound with molecular formula C25H27N3O4 and molecular weight 433.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoate
Also Known As: BAS 00867023, AB00095858-01, methyl 4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoate, methyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate, (E)-methyl 4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate
| Molecular Formula | C25H27N3O4 |
|---|---|
| Molecular Weight | 433.20 g/mol |
| LogP | 2.4361 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.20016 |
| Heavy Atoms | 32 |
| Complexity | 995.60693 |
Chemical Identifiers
| CAS Number | 330865-45-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4 |
Product Overview
BAS 00867023 (CAS 330865-45-7), with molecular formula C25H27N3O4 and molecular weight 433.20 g/mol. IUPAC: methyl 4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoate.
Chemical Property Profile of BAS 00867023
Property Insights of BAS 00867023
The XLogP value of 2.4361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00867023. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00867023. Following Lipinski's Rule of Five, BAS 00867023 has 0 hydrogen bond donor(s) and 6 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 00867023?
The CAS number of BAS 00867023 is 330865-45-7.
What is the molecular formula of BAS 00867023?
The molecular formula of BAS 00867023 is C25H27N3O4.
What is the molecular weight of BAS 00867023?
The molecular weight of BAS 00867023 is 433.20 g/mol.
Where can I buy BAS 00867023?
You can request a quote for BAS 00867023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00867023?
Yes, KEHONG BIO provides custom synthesis services for BAS 00867023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.