AO-022/42605679
TL;DR: AO-022/42605679 (CAS 634566-54-4) is a chemical compound with molecular formula C22H13ClN2O5S and molecular weight 452.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-chloro-3,9-dioxo-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: AO-022/42605679, methyl 4-[7-chloro-3,9-dioxo-2-(1,3-thiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[7-chloro-3,9-dioxo-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-(7-chloro-3,9-dioxo-2-(1,3-thiazol-2-yl)chromeno[2,3-c]3-pyrrolinyl)b enzoate, methyl 4-(7-chloro-3,9-dioxo-2-(thiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
| Molecular Formula | C22H13ClN2O5S |
|---|---|
| Molecular Weight | 452.02 g/mol |
| LogP | 4.4393 |
| Topological Polar Surface Area | 89.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.02338 |
| Heavy Atoms | 31 |
| Complexity | 1396.1963 |
Chemical Identifiers
| CAS Number | 634566-54-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NC=CS4)OC5=C(C3=O)C=C(C=C5)Cl |
Product Overview
AO-022/42605679 (CAS 634566-54-4), with molecular formula C22H13ClN2O5S and molecular weight 452.02 g/mol. IUPAC: methyl 4-[7-chloro-3,9-dioxo-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of AO-022/42605679
Property Insights of AO-022/42605679
The XLogP value of 4.4393 indicates that AO-022/42605679 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42605679. Following Lipinski's Rule of Five, AO-022/42605679 has 0 hydrogen bond donor(s) and 7 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-022/42605679?
The CAS number of AO-022/42605679 is 634566-54-4.
What is the molecular formula of AO-022/42605679?
The molecular formula of AO-022/42605679 is C22H13ClN2O5S.
What is the molecular weight of AO-022/42605679?
The molecular weight of AO-022/42605679 is 452.02 g/mol.
Where can I buy AO-022/42605679?
You can request a quote for AO-022/42605679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42605679?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42605679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.