AO-022/43454871
TL;DR: AO-022/43454871 (CAS 844462-77-7) is a chemical compound with molecular formula C25H20FN3O5S and molecular weight 493.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-fluoro-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-022/43454871, methyl 4-[7-fluoro-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-[7-fluoro-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-(7-fluoro-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-{7-fluoro-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 | C25H20FN3O5S |
|---|---|
| Molecular Weight | 493.11 g/mol |
| LogP | 4.5185 |
| Topological Polar Surface Area | 102.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.11078 |
| Heavy Atoms | 35 |
| Complexity | 1526.6398 |
Chemical Identifiers
| CAS Number | 844462-77-7 |
|---|---|
| SMILES | CC(C)CC1=NN=C(S1)N2C(C3=C(C2=O)OC4=C(C3=O)C=C(C=C4)F)C5=CC=C(C=C5)C(=O)OC |
Product Overview
AO-022/43454871 (CAS 844462-77-7), with molecular formula C25H20FN3O5S and molecular weight 493.11 g/mol. IUPAC: methyl 4-[7-fluoro-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-022/43454871
Property Insights of AO-022/43454871
The XLogP value of 4.5185 indicates that AO-022/43454871 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-022/43454871. Following Lipinski's Rule of Five, AO-022/43454871 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-022/43454871?
The CAS number of AO-022/43454871 is 844462-77-7.
What is the molecular formula of AO-022/43454871?
The molecular formula of AO-022/43454871 is C25H20FN3O5S.
What is the molecular weight of AO-022/43454871?
The molecular weight of AO-022/43454871 is 493.11 g/mol.
Where can I buy AO-022/43454871?
You can request a quote for AO-022/43454871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454871?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.