BAS 00599002
TL;DR: BAS 00599002 (CAS 5521-98-2) is a chemical compound with molecular formula C25H18Br2N2O and molecular weight 519.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(E)-1,3-bis(4-bromophenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: BAS 00599002, (4E)-4-[(E)-1,3-bis(4-bromophenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one, 4-[1,3-bis(4-bromophenyl)-2-propen-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[(2E)-1,3-Bis(4-bromophenyl)prop-2-en-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C25H18Br2N2O |
|---|---|
| Molecular Weight | 519.98 g/mol |
| LogP | 7.1013 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.9786 |
| Heavy Atoms | 30 |
| Complexity | 1162.0352 |
Chemical Identifiers
| CAS Number | 5521-98-2 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C(\C=C\C2=CC=C(C=C2)Br)/C3=CC=C(C=C3)Br)C4=CC=CC=C4 |
Product Overview
BAS 00599002 (CAS 5521-98-2), with molecular formula C25H18Br2N2O and molecular weight 519.98 g/mol. IUPAC: (4E)-4-[(E)-1,3-bis(4-bromophenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00599002
Property Insights of BAS 00599002
The XLogP value of 7.1013 indicates that BAS 00599002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, BAS 00599002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00599002 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00599002?
The CAS number of BAS 00599002 is 5521-98-2.
What is the molecular formula of BAS 00599002?
The molecular formula of BAS 00599002 is C25H18Br2N2O.
What is the molecular weight of BAS 00599002?
The molecular weight of BAS 00599002 is 519.98 g/mol.
Where can I buy BAS 00599002?
You can request a quote for BAS 00599002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00599002?
Yes, KEHONG BIO provides custom synthesis services for BAS 00599002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.