ChemDiv1_019653
TL;DR: ChemDiv1_019653 (CAS 1808-49-7) is a chemical compound with molecular formula C30H30N4O3 and molecular weight 494.23 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)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: ChemDiv1_019653, BAS 00440262, 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one, 4,4'-((4-methoxyphenyl)methylene)bis(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one)
| Molecular Formula | C30H30N4O3 |
|---|---|
| Molecular Weight | 494.23 g/mol |
| LogP | 4.47104 |
| Topological Polar Surface Area | 63.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.23178 |
| Heavy Atoms | 37 |
| Complexity | 1567.9227 |
Chemical Identifiers
| CAS Number | 1808-49-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C |
Product Overview
ChemDiv1_019653 (CAS 1808-49-7), with molecular formula C30H30N4O3 and molecular weight 494.23 g/mol. IUPAC: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of ChemDiv1_019653
Property Insights of ChemDiv1_019653
The XLogP value of 4.47104 indicates that ChemDiv1_019653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019653. Following Lipinski's Rule of Five, ChemDiv1_019653 has 0 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_019653?
The CAS number of ChemDiv1_019653 is 1808-49-7.
What is the molecular formula of ChemDiv1_019653?
The molecular formula of ChemDiv1_019653 is C30H30N4O3.
What is the molecular weight of ChemDiv1_019653?
The molecular weight of ChemDiv1_019653 is 494.23 g/mol.
Where can I buy ChemDiv1_019653?
You can request a quote for ChemDiv1_019653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019653?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.