AO-022/43453348
TL;DR: AO-022/43453348 (CAS 896845-91-3) is a chemical compound with molecular formula C22H30N4O2S and molecular weight 414.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(diethylamino)ethylamino]-4-(furan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: AO-022/43453348, 2-((2-(diethylamino)ethyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-{[2-(diethylamino)ethyl]amino}-3-(2-furylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-{[2-(diethylamino)ethyl]amino}-3-(furan-2-ylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H30N4O2S |
|---|---|
| Molecular Weight | 414.21 g/mol |
| LogP | 4.1219 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.20895 |
| Heavy Atoms | 29 |
| Complexity | 1002.15625 |
Chemical Identifiers
| CAS Number | 896845-91-3 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CO4 |
Product Overview
AO-022/43453348 (CAS 896845-91-3), with molecular formula C22H30N4O2S and molecular weight 414.21 g/mol. IUPAC: 5-[2-(diethylamino)ethylamino]-4-(furan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AO-022/43453348
Property Insights of AO-022/43453348
The XLogP value of 4.1219 indicates that AO-022/43453348 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453348. Following Lipinski's Rule of Five, AO-022/43453348 has 1 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-022/43453348?
The CAS number of AO-022/43453348 is 896845-91-3.
What is the molecular formula of AO-022/43453348?
The molecular formula of AO-022/43453348 is C22H30N4O2S.
What is the molecular weight of AO-022/43453348?
The molecular weight of AO-022/43453348 is 414.21 g/mol.
Where can I buy AO-022/43453348?
You can request a quote for AO-022/43453348 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453348?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453348 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.