AO-022/42600040
TL;DR: AO-022/42600040 (CAS 630086-79-2) is a chemical compound with molecular formula C23H18ClN3O4S and molecular weight 467.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: AO-022/42600040, 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C23H18ClN3O4S |
|---|---|
| Molecular Weight | 467.07 g/mol |
| LogP | 5.14492 |
| Topological Polar Surface Area | 85.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.07065 |
| Heavy Atoms | 32 |
| Complexity | 1414.1365 |
Chemical Identifiers
| CAS Number | 630086-79-2 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)C2C3=C(C(=O)N2C4=NN=C(S4)C)OC5=C(C3=O)C=C(C=C5)Cl |
Product Overview
AO-022/42600040 (CAS 630086-79-2), with molecular formula C23H18ClN3O4S and molecular weight 467.07 g/mol. IUPAC: 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of AO-022/42600040
Property Insights of AO-022/42600040
The XLogP value of 5.14492 indicates that AO-022/42600040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42600040. Following Lipinski's Rule of Five, AO-022/42600040 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-022/42600040?
The CAS number of AO-022/42600040 is 630086-79-2.
What is the molecular formula of AO-022/42600040?
The molecular formula of AO-022/42600040 is C23H18ClN3O4S.
What is the molecular weight of AO-022/42600040?
The molecular weight of AO-022/42600040 is 467.07 g/mol.
Where can I buy AO-022/42600040?
You can request a quote for AO-022/42600040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42600040?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42600040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.