AO-022/42600041
TL;DR: AO-022/42600041 (CAS 630086-80-5) is a chemical compound with molecular formula C23H16ClN3O4S and molecular weight 465.06 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-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: AO-022/42600041, 1-[3-(allyloxy)phenyl]-7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione, 1-(3-(allyloxy)phenyl)-7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C23H16ClN3O4S |
|---|---|
| Molecular Weight | 465.06 g/mol |
| LogP | 4.92092 |
| Topological Polar Surface Area | 85.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.055 |
| Heavy Atoms | 32 |
| Complexity | 1444.9534 |
Chemical Identifiers
| CAS Number | 630086-80-5 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(C3=C(C2=O)OC4=C(C3=O)C=C(C=C4)Cl)C5=CC(=CC=C5)OCC=C |
Product Overview
AO-022/42600041 (CAS 630086-80-5), with molecular formula C23H16ClN3O4S and molecular weight 465.06 g/mol. IUPAC: 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of AO-022/42600041
Property Insights of AO-022/42600041
The XLogP value of 4.92092 indicates that AO-022/42600041 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-022/42600041. Following Lipinski's Rule of Five, AO-022/42600041 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-022/42600041?
The CAS number of AO-022/42600041 is 630086-80-5.
What is the molecular formula of AO-022/42600041?
The molecular formula of AO-022/42600041 is C23H16ClN3O4S.
What is the molecular weight of AO-022/42600041?
The molecular weight of AO-022/42600041 is 465.06 g/mol.
Where can I buy AO-022/42600041?
You can request a quote for AO-022/42600041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42600041?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42600041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.