BAS 00641215
TL;DR: BAS 00641215 (CAS 331862-07-8) is a chemical compound with molecular formula C27H22N2O3 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: BAS 00641215, (4Z)-4-[(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one, 4-[3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-2-propenylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C27H22N2O3 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 5.61342 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.16306 |
| Heavy Atoms | 32 |
| Complexity | 1272.0134 |
Chemical Identifiers
| CAS Number | 331862-07-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)/C=C/C4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 00641215 (CAS 331862-07-8), with molecular formula C27H22N2O3 and molecular weight 422.16 g/mol. IUPAC: (4Z)-4-[(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00641215
Property Insights of BAS 00641215
The XLogP value of 5.61342 indicates that BAS 00641215 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, BAS 00641215 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00641215 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00641215?
The CAS number of BAS 00641215 is 331862-07-8.
What is the molecular formula of BAS 00641215?
The molecular formula of BAS 00641215 is C27H22N2O3.
What is the molecular weight of BAS 00641215?
The molecular weight of BAS 00641215 is 422.16 g/mol.
Where can I buy BAS 00641215?
You can request a quote for BAS 00641215 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00641215?
Yes, KEHONG BIO provides custom synthesis services for BAS 00641215 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.