AO-022/43454407
TL;DR: AO-022/43454407 (CAS 848765-64-0) is a chemical compound with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: AO-022/43454407, methyl 4-[2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-(2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate, methyl 4-{2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate
| Molecular Formula | C25H21N3O5S |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 4.3794 |
| Topological Polar Surface Area | 102.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.12018 |
| Heavy Atoms | 34 |
| Complexity | 1472.1903 |
Chemical Identifiers
| CAS Number | 848765-64-0 |
|---|---|
| SMILES | CC(C)CC1=NN=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(=O)OC |
Product Overview
AO-022/43454407 (CAS 848765-64-0), with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol. IUPAC: methyl 4-[2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of AO-022/43454407
Property Insights of AO-022/43454407
The XLogP value of 4.3794 indicates that AO-022/43454407 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454407. Following Lipinski's Rule of Five, AO-022/43454407 has 0 hydrogen bond donor(s) and 8 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 AO-022/43454407?
The CAS number of AO-022/43454407 is 848765-64-0.
What is the molecular formula of AO-022/43454407?
The molecular formula of AO-022/43454407 is C25H21N3O5S.
What is the molecular weight of AO-022/43454407?
The molecular weight of AO-022/43454407 is 475.12 g/mol.
Where can I buy AO-022/43454407?
You can request a quote for AO-022/43454407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454407?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.