AN-465/13287026
TL;DR: AN-465/13287026 (CAS 353499-81-7) is a chemical compound with molecular formula C20H19ClN4O4 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-acetyl-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1-methyl-3H-1,2,4,5-tetrazin-6-yl]ethanone
Also Known As: AN-465/13287026, 1-[2-acetyl-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1-methyl-3H-1,2,4,5-tetrazin-6-yl]ethanone, 1,2,4,5-Tetrazine, 1,2,3,4-tetrahydro-2,6-diacetyl-4-(4-chlorophenyl)-3-(3,4-methylenedioxyphenyl)-1-methyl-, 1-[1-Acetyl-6-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-methyl-1,2,5,6-tetrahydro-1,2,4,5-tetraazin-3-yl]ethanone, 1,1'-(6-(benzo[d][1,3]dioxol-5-yl)-5-(4-chlorophenyl)-2-methyl-5,6-dihydro-1,2,4,5-tetrazine-1,3(2H)-diyl)diethanone
| Molecular Formula | C20H19ClN4O4 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.1095 |
| Heavy Atoms | 29 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 353499-81-7 |
|---|---|
| SMILES | CC(=O)C1=NN(C(N(N1C)C(=O)C)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl |
| InChIKey | RLGNUIFXUXOZOH-UHFFFAOYSA-N |
Product Overview
AN-465/13287026 (CAS 353499-81-7), with molecular formula C20H19ClN4O4 and molecular weight 414.11 g/mol. IUPAC: 1-[2-acetyl-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1-methyl-3H-1,2,4,5-tetrazin-6-yl]ethanone.
Chemical Property Profile of AN-465/13287026
Property Insights of AN-465/13287026
The XLogP value of 3.2 indicates that AN-465/13287026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/13287026. Following Lipinski's Rule of Five, AN-465/13287026 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 AN-465/13287026?
The CAS number of AN-465/13287026 is 353499-81-7.
What is the molecular formula of AN-465/13287026?
The molecular formula of AN-465/13287026 is C20H19ClN4O4.
What is the molecular weight of AN-465/13287026?
The molecular weight of AN-465/13287026 is 414.11 g/mol.
Where can I buy AN-465/13287026?
You can request a quote for AN-465/13287026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/13287026?
Yes, KEHONG BIO provides custom synthesis services for AN-465/13287026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.