AO-022/43452779
TL;DR: AO-022/43452779 (CAS 898499-93-9) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide
Also Known As: AO-022/43452779, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5,7-dimethyl-4-oxo-4H-chromene-2-carboxamide, N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5,7-dimethyl-4-oxo-4H-chromene-2-carboxamide, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-5,7-dimethyl-4-oxo-4H-chromene-2-carboxamide
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.70134 |
| Topological Polar Surface Area | 102.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 1189.3142 |
Chemical Identifiers
| CAS Number | 898499-93-9 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)OC(=CC2=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C |
Product Overview
AO-022/43452779 (CAS 898499-93-9), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5,7-dimethyl-4-oxochromene-2-carboxamide.
Chemical Property Profile of AO-022/43452779
Property Insights of AO-022/43452779
The XLogP value of 3.70134 indicates that AO-022/43452779 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43452779. Following Lipinski's Rule of Five, AO-022/43452779 has 2 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-022/43452779?
The CAS number of AO-022/43452779 is 898499-93-9.
What is the molecular formula of AO-022/43452779?
The molecular formula of AO-022/43452779 is C21H20N2O4S.
What is the molecular weight of AO-022/43452779?
The molecular weight of AO-022/43452779 is 396.11 g/mol.
Where can I buy AO-022/43452779?
You can request a quote for AO-022/43452779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43452779?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43452779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.