AO-022/41680906
TL;DR: AO-022/41680906 (CAS 670263-29-3) is a chemical compound with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 8-methyl-4-(3-methylphenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2,7-dicarboxylate
Also Known As: AO-022/41680906, dimethyl 8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate, dimethyl 8-methyl-9-phenyl-1-(m-tolyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate, 3,7-DIMETHYL 8-METHYL-1-(3-METHYLPHENYL)-9-PHENYL-4,6-DITHIA-1,2,9-TRIAZASPIRO[4.4]NONA-2,7-DIENE-3,7-DICARBOXYLATE, dimethyl 2-methyl-6-(3-methylphenyl)-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate
| Molecular Formula | C22H21N3O4S2 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 4.30392 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.09735 |
| Heavy Atoms | 31 |
| Complexity | 1102.9447 |
Chemical Identifiers
| CAS Number | 670263-29-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3(N(C(=C(S3)C(=O)OC)C)C4=CC=CC=C4)SC(=N2)C(=O)OC |
Product Overview
AO-022/41680906 (CAS 670263-29-3), with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol. IUPAC: dimethyl 8-methyl-4-(3-methylphenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2,7-dicarboxylate.
Chemical Property Profile of AO-022/41680906
Property Insights of AO-022/41680906
The XLogP value of 4.30392 indicates that AO-022/41680906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41680906. Following Lipinski's Rule of Five, AO-022/41680906 has 0 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-022/41680906?
The CAS number of AO-022/41680906 is 670263-29-3.
What is the molecular formula of AO-022/41680906?
The molecular formula of AO-022/41680906 is C22H21N3O4S2.
What is the molecular weight of AO-022/41680906?
The molecular weight of AO-022/41680906 is 455.10 g/mol.
Where can I buy AO-022/41680906?
You can request a quote for AO-022/41680906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41680906?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41680906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.