ChemDiv1_008636
TL;DR: ChemDiv1_008636 (CAS 402950-83-8) is a chemical compound with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
Also Known As: ChemDiv1_008636, F0877-0083, 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazole, [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone, (3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(thiophen-2-yl)methanone
| Molecular Formula | C23H22N2O4S |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 4.7654 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.13004 |
| Heavy Atoms | 30 |
| Complexity | 1061.317 |
Chemical Identifiers
| CAS Number | 402950-83-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC |
Product Overview
ChemDiv1_008636 (CAS 402950-83-8), with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol. IUPAC: [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of ChemDiv1_008636
Property Insights of ChemDiv1_008636
The XLogP value of 4.7654 indicates that ChemDiv1_008636 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008636. Following Lipinski's Rule of Five, ChemDiv1_008636 has 0 hydrogen bond donor(s) and 6 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_008636?
The CAS number of ChemDiv1_008636 is 402950-83-8.
What is the molecular formula of ChemDiv1_008636?
The molecular formula of ChemDiv1_008636 is C23H22N2O4S.
What is the molecular weight of ChemDiv1_008636?
The molecular weight of ChemDiv1_008636 is 422.13 g/mol.
Where can I buy ChemDiv1_008636?
You can request a quote for ChemDiv1_008636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008636?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.