AN-023/12770053
TL;DR: AN-023/12770053 (CAS 330850-25-4) is a chemical compound with molecular formula C23H17ClN2O3 and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-chlorophenyl)methanone
Also Known As: AN-023/12770053, [3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-chlorophenyl)methanone, [5-(1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](4-chlorophenyl)methanone, 5-(1,3-benzodioxol-5-yl)-1-(4-chlorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazole, 5-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-3-phenyl(2-pyrazolinyl) 4-chlorophenyl ke tone
| Molecular Formula | C23H17ClN2O3 |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 5.0602 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.09277 |
| Heavy Atoms | 29 |
| Complexity | 1096.8656 |
Chemical Identifiers
| CAS Number | 330850-25-4 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4)OCO5 |
Product Overview
AN-023/12770053 (CAS 330850-25-4), with molecular formula C23H17ClN2O3 and molecular weight 404.09 g/mol. IUPAC: [3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-chlorophenyl)methanone.
Chemical Property Profile of AN-023/12770053
Property Insights of AN-023/12770053
The XLogP value of 5.0602 indicates that AN-023/12770053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, AN-023/12770053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-023/12770053 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 AN-023/12770053?
The CAS number of AN-023/12770053 is 330850-25-4.
What is the molecular formula of AN-023/12770053?
The molecular formula of AN-023/12770053 is C23H17ClN2O3.
What is the molecular weight of AN-023/12770053?
The molecular weight of AN-023/12770053 is 404.09 g/mol.
Where can I buy AN-023/12770053?
You can request a quote for AN-023/12770053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-023/12770053?
Yes, KEHONG BIO provides custom synthesis services for AN-023/12770053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.