AO-022/43454781
TL;DR: AO-022/43454781 (CAS 902030-79-9) is a chemical compound with molecular formula C19H19N5S and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-benzyl-4,7-dimethyl-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-022/43454781, 9-benzyl-2,5-dimethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C19H19N5S |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.51414 |
| Topological Polar Surface Area | 46.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.1361 |
| Heavy Atoms | 25 |
| Complexity | 1079.7838 |
Chemical Identifiers
| CAS Number | 902030-79-9 |
|---|---|
| SMILES | CC1=NN2C(=NC3=C(C2=N1)C4=C(S3)CN(CC4)CC5=CC=CC=C5)C |
Product Overview
AO-022/43454781 (CAS 902030-79-9), with molecular formula C19H19N5S and molecular weight 349.14 g/mol. IUPAC: 13-benzyl-4,7-dimethyl-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-022/43454781
Property Insights of AO-022/43454781
The XLogP value of 3.51414 indicates that AO-022/43454781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.32 Ų, AO-022/43454781 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-022/43454781 has 0 hydrogen bond donor(s) and 5 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-022/43454781?
The CAS number of AO-022/43454781 is 902030-79-9.
What is the molecular formula of AO-022/43454781?
The molecular formula of AO-022/43454781 is C19H19N5S.
What is the molecular weight of AO-022/43454781?
The molecular weight of AO-022/43454781 is 349.14 g/mol.
Where can I buy AO-022/43454781?
You can request a quote for AO-022/43454781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454781?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.