ChemDiv1_008592
TL;DR: ChemDiv1_008592 (CAS 383901-30-2) is a chemical compound with molecular formula C27H27FN2O6 and molecular weight 494.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
Also Known As: ChemDiv1_008592, (3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1h-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone, [3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl](3,4,5-trimethoxyphenyl)methanone, [5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone, 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole
| Molecular Formula | C27H27FN2O6 |
|---|---|
| Molecular Weight | 494.19 g/mol |
| LogP | 4.8602 |
| Topological Polar Surface Area | 78.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.1853 |
| Heavy Atoms | 36 |
| Complexity | 1266.9165 |
Chemical Identifiers
| CAS Number | 383901-30-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC |
Product Overview
ChemDiv1_008592 (CAS 383901-30-2), with molecular formula C27H27FN2O6 and molecular weight 494.19 g/mol. IUPAC: [5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of ChemDiv1_008592
Property Insights of ChemDiv1_008592
The XLogP value of 4.8602 indicates that ChemDiv1_008592 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008592. Following Lipinski's Rule of Five, ChemDiv1_008592 has 0 hydrogen bond donor(s) and 7 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_008592?
The CAS number of ChemDiv1_008592 is 383901-30-2.
What is the molecular formula of ChemDiv1_008592?
The molecular formula of ChemDiv1_008592 is C27H27FN2O6.
What is the molecular weight of ChemDiv1_008592?
The molecular weight of ChemDiv1_008592 is 494.19 g/mol.
Where can I buy ChemDiv1_008592?
You can request a quote for ChemDiv1_008592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008592?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.