AO-022/42600050
TL;DR: AO-022/42600050 (CAS 630086-97-4) is a chemical compound with molecular formula C21H14BrN3O3S and molecular weight 466.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromophenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: AO-022/42600050, 1-(3-bromophenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 1-(3-bromophenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C21H14BrN3O3S |
|---|---|
| Molecular Weight | 466.99 g/mol |
| LogP | 4.77364 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 466.99393 |
| Heavy Atoms | 29 |
| Complexity | 1361.0428 |
Chemical Identifiers
| CAS Number | 630086-97-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC3=C(C2=O)C(N(C3=O)C4=NN=C(S4)C)C5=CC(=CC=C5)Br |
Product Overview
AO-022/42600050 (CAS 630086-97-4), with molecular formula C21H14BrN3O3S and molecular weight 466.99 g/mol. IUPAC: 1-(3-bromophenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of AO-022/42600050
Property Insights of AO-022/42600050
The XLogP value of 4.77364 indicates that AO-022/42600050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42600050. Following Lipinski's Rule of Five, AO-022/42600050 has 0 hydrogen bond donor(s) and 6 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-022/42600050?
The CAS number of AO-022/42600050 is 630086-97-4.
What is the molecular formula of AO-022/42600050?
The molecular formula of AO-022/42600050 is C21H14BrN3O3S.
What is the molecular weight of AO-022/42600050?
The molecular weight of AO-022/42600050 is 466.99 g/mol.
Where can I buy AO-022/42600050?
You can request a quote for AO-022/42600050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42600050?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42600050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.