BAS 00533352
TL;DR: BAS 00533352 (CAS 1606-53-7) is a chemical compound with molecular formula C29H27N5O4 and molecular weight 509.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00533352, J1.825.915J, 4,4'-((3-NITROPHENYL)METHYLENE)BIS(1,5-DIMETHYL-2-PHENYL-1H-PYRAZOL-3(2H)-ONE), 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
| Molecular Formula | C29H27N5O4 |
|---|---|
| Molecular Weight | 509.21 g/mol |
| LogP | 4.37064 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.2063 |
| Heavy Atoms | 38 |
| Complexity | 1671.9645 |
Chemical Identifiers
| CAS Number | 1606-53-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C |
Product Overview
BAS 00533352 (CAS 1606-53-7), with molecular formula C29H27N5O4 and molecular weight 509.21 g/mol. IUPAC: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00533352
Property Insights of BAS 00533352
The XLogP value of 4.37064 indicates that BAS 00533352 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00533352. Following Lipinski's Rule of Five, BAS 00533352 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 00533352?
The CAS number of BAS 00533352 is 1606-53-7.
What is the molecular formula of BAS 00533352?
The molecular formula of BAS 00533352 is C29H27N5O4.
What is the molecular weight of BAS 00533352?
The molecular weight of BAS 00533352 is 509.21 g/mol.
Where can I buy BAS 00533352?
You can request a quote for BAS 00533352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00533352?
Yes, KEHONG BIO provides custom synthesis services for BAS 00533352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.