ChemDiv1_019609
TL;DR: ChemDiv1_019609 (CAS 1606-55-9) is a chemical compound with molecular formula C29H28N4O3 and molecular weight 480.22 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)-(2-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: ChemDiv1_019609, BAS 00533353, AB00600030-06, A1218/0056155, 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
| Molecular Formula | C29H28N4O3 |
|---|---|
| Molecular Weight | 480.22 g/mol |
| LogP | 4.16804 |
| Topological Polar Surface Area | 74.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.21616 |
| Heavy Atoms | 36 |
| Complexity | 1568.0028 |
Chemical Identifiers
| CAS Number | 1606-55-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C |
Product Overview
ChemDiv1_019609 (CAS 1606-55-9), with molecular formula C29H28N4O3 and molecular weight 480.22 g/mol. IUPAC: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of ChemDiv1_019609
Property Insights of ChemDiv1_019609
The XLogP value of 4.16804 indicates that ChemDiv1_019609 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019609. Following Lipinski's Rule of Five, ChemDiv1_019609 has 1 hydrogen bond donor(s) and 3 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 ChemDiv1_019609?
The CAS number of ChemDiv1_019609 is 1606-55-9.
What is the molecular formula of ChemDiv1_019609?
The molecular formula of ChemDiv1_019609 is C29H28N4O3.
What is the molecular weight of ChemDiv1_019609?
The molecular weight of ChemDiv1_019609 is 480.22 g/mol.
Where can I buy ChemDiv1_019609?
You can request a quote for ChemDiv1_019609 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019609?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019609 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.