AO-022/43454913
TL;DR: AO-022/43454913 (CAS 902310-67-2) is a chemical compound with molecular formula C20H21N5OS and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-4-(4-propan-2-yloxyphenyl)-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: AO-022/43454913, 2-(4-isopropoxyphenyl)-9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-methyl-2-[4-(propan-2-yloxy)phenyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, isopropyl 4-(9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl ether
| Molecular Formula | C20H21N5OS |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.7811 |
| Topological Polar Surface Area | 55.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.14667 |
| Heavy Atoms | 27 |
| Complexity | 1128.9001 |
Chemical Identifiers
| CAS Number | 902310-67-2 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C5=C(S4)CN(CC5)C |
Product Overview
AO-022/43454913 (CAS 902310-67-2), with molecular formula C20H21N5OS and molecular weight 379.15 g/mol. IUPAC: 13-methyl-4-(4-propan-2-yloxyphenyl)-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of AO-022/43454913
Property Insights of AO-022/43454913
The XLogP value of 3.7811 indicates that AO-022/43454913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.55 Ų, AO-022/43454913 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-022/43454913 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-022/43454913?
The CAS number of AO-022/43454913 is 902310-67-2.
What is the molecular formula of AO-022/43454913?
The molecular formula of AO-022/43454913 is C20H21N5OS.
What is the molecular weight of AO-022/43454913?
The molecular weight of AO-022/43454913 is 379.15 g/mol.
Where can I buy AO-022/43454913?
You can request a quote for AO-022/43454913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454913?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.