AO-022/42600576
TL;DR: AO-022/42600576 (CAS 632307-80-3) is a chemical compound with molecular formula C22H15N3O5S and molecular weight 433.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-methyl-3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: AO-022/42600576, methyl 4-[7-methyl-3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[7-methyl-3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-(7-methyl-3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
| Molecular Formula | C22H15N3O5S |
|---|---|
| Molecular Weight | 433.07 g/mol |
| LogP | 3.48932 |
| Topological Polar Surface Area | 102.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.07324 |
| Heavy Atoms | 31 |
| Complexity | 1393.4414 |
Chemical Identifiers
| CAS Number | 632307-80-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC3=C(C2=O)C(N(C3=O)C4=NN=CS4)C5=CC=C(C=C5)C(=O)OC |
Product Overview
AO-022/42600576 (CAS 632307-80-3), with molecular formula C22H15N3O5S and molecular weight 433.07 g/mol. IUPAC: methyl 4-[7-methyl-3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of AO-022/42600576
Property Insights of AO-022/42600576
The XLogP value of 3.48932 indicates that AO-022/42600576 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-022/42600576. Following Lipinski's Rule of Five, AO-022/42600576 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-022/42600576?
The CAS number of AO-022/42600576 is 632307-80-3.
What is the molecular formula of AO-022/42600576?
The molecular formula of AO-022/42600576 is C22H15N3O5S.
What is the molecular weight of AO-022/42600576?
The molecular weight of AO-022/42600576 is 433.07 g/mol.
Where can I buy AO-022/42600576?
You can request a quote for AO-022/42600576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42600576?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42600576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.