BAS 00867017
TL;DR: BAS 00867017 (CAS 330865-50-4) is a chemical compound with molecular formula C24H25N3O6 and molecular weight 451.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: BAS 00867017, AB00096063-01, methyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate, methyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate, methyl 4-{3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl}benzoate
| Molecular Formula | C24H25N3O6 |
|---|---|
| Molecular Weight | 451.17 g/mol |
| LogP | 1.6516 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.17435 |
| Heavy Atoms | 33 |
| Complexity | 1078.1072 |
Chemical Identifiers
| CAS Number | 330865-50-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 00867017 (CAS 330865-50-4), with molecular formula C24H25N3O6 and molecular weight 451.17 g/mol. IUPAC: methyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of BAS 00867017
Property Insights of BAS 00867017
The XLogP value of 1.6516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00867017. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00867017. Following Lipinski's Rule of Five, BAS 00867017 has 0 hydrogen bond donor(s) and 8 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 00867017?
The CAS number of BAS 00867017 is 330865-50-4.
What is the molecular formula of BAS 00867017?
The molecular formula of BAS 00867017 is C24H25N3O6.
What is the molecular weight of BAS 00867017?
The molecular weight of BAS 00867017 is 451.17 g/mol.
Where can I buy BAS 00867017?
You can request a quote for BAS 00867017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00867017?
Yes, KEHONG BIO provides custom synthesis services for BAS 00867017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.