AO-022/43454955
TL;DR: AO-022/43454955 (CAS 842957-52-2) is a chemical compound with molecular formula C22H30N6O2S and molecular weight 442.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)butane-1,4-diamine
Also Known As: AO-022/43454955, N1-(2,2-dimethyl-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)butane-1,4-diamine, N'-(4,4-Dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)butane-1,4-diamine, N-(4-aminobutyl)-N-[2,2-dimethyl-5-(4-morpholinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amine, N-[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]butane-1,4-diamine
| Molecular Formula | C22H30N6O2S |
|---|---|
| Molecular Weight | 442.22 g/mol |
| LogP | 3.0782 |
| Topological Polar Surface Area | 98.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.2151 |
| Heavy Atoms | 31 |
| Complexity | 1092.7249 |
Chemical Identifiers
| CAS Number | 842957-52-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)NCCCCN)N5CCOCC5)C |
Product Overview
AO-022/43454955 (CAS 842957-52-2), with molecular formula C22H30N6O2S and molecular weight 442.22 g/mol. IUPAC: N'-(4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)butane-1,4-diamine.
Chemical Property Profile of AO-022/43454955
Property Insights of AO-022/43454955
The XLogP value of 3.0782 indicates that AO-022/43454955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454955. Following Lipinski's Rule of Five, AO-022/43454955 has 2 hydrogen bond donor(s) and 9 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-022/43454955?
The CAS number of AO-022/43454955 is 842957-52-2.
What is the molecular formula of AO-022/43454955?
The molecular formula of AO-022/43454955 is C22H30N6O2S.
What is the molecular weight of AO-022/43454955?
The molecular weight of AO-022/43454955 is 442.22 g/mol.
Where can I buy AO-022/43454955?
You can request a quote for AO-022/43454955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454955?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.