AO-022/42944105
TL;DR: AO-022/42944105 (CAS 843631-22-1) is a chemical compound with molecular formula C17H15ClN2O2S2 and molecular weight 378.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: AO-022/42944105, 3-(4-chlorophenyl)-6,6-dimethyl-2-sulfanyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 4-(4-Chlorophenyl)-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one, 3-(4-chlorophenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-(4-chlorophenyl)-6,6-dimethyl-2-sulfanylidene-5,8-dihydro-1H-pyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C17H15ClN2O2S2 |
|---|---|
| Molecular Weight | 378.03 g/mol |
| LogP | 4.61449 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 378.02634 |
| Heavy Atoms | 24 |
| Complexity | 1061.1145 |
Chemical Identifiers
| CAS Number | 843631-22-1 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=S)N3)C4=CC=C(C=C4)Cl)C |
Product Overview
AO-022/42944105 (CAS 843631-22-1), with molecular formula C17H15ClN2O2S2 and molecular weight 378.03 g/mol. IUPAC: 4-(4-chlorophenyl)-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of AO-022/42944105
Property Insights of AO-022/42944105
The XLogP value of 4.61449 indicates that AO-022/42944105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, AO-022/42944105 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-022/42944105 has 1 hydrogen bond donor(s) and 4 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-022/42944105?
The CAS number of AO-022/42944105 is 843631-22-1.
What is the molecular formula of AO-022/42944105?
The molecular formula of AO-022/42944105 is C17H15ClN2O2S2.
What is the molecular weight of AO-022/42944105?
The molecular weight of AO-022/42944105 is 378.03 g/mol.
Where can I buy AO-022/42944105?
You can request a quote for AO-022/42944105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42944105?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42944105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.