BAS 03062877
TL;DR: BAS 03062877 (CAS 1164553-21-2) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
Also Known As: BAS 03062877, 3-Benzo[1,3]dioxol-5-yl-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propenone, (2E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one, 2-{4-[3-(1,3-benzodioxol-5-yl)acryloyl]-1-piperazinyl}phenyl methyl ether, (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 2.7859 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 857.01013 |
Chemical Identifiers
| CAS Number | 1164553-21-2 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4 |
Product Overview
BAS 03062877 (CAS 1164553-21-2), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one.
Chemical Property Profile of BAS 03062877
Property Insights of BAS 03062877
The XLogP value of 2.7859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03062877. With a topological polar surface area (TPSA) of 51.24 Ų, BAS 03062877 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03062877 has 0 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 03062877?
The CAS number of BAS 03062877 is 1164553-21-2.
What is the molecular formula of BAS 03062877?
The molecular formula of BAS 03062877 is C21H22N2O4.
What is the molecular weight of BAS 03062877?
The molecular weight of BAS 03062877 is 366.16 g/mol.
Where can I buy BAS 03062877?
You can request a quote for BAS 03062877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03062877?
Yes, KEHONG BIO provides custom synthesis services for BAS 03062877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.