AO-080/42479757
TL;DR: AO-080/42479757 (CAS 540516-69-6) is a chemical compound with molecular formula C24H24N2O4S and molecular weight 436.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(benzylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
Also Known As: AO-080/42479757, ethyl 5-(benzylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate, ethyl 5-(benzylcarbamoyl)-4-methyl-2-{[(4-methylphenyl)carbonyl]amino}thiophene-3-carboxylate, ethyl 5-[(benzylamino)carbonyl]-4-methyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate
| Molecular Formula | C24H24N2O4S |
|---|---|
| Molecular Weight | 436.15 g/mol |
| LogP | 4.72394 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.1457 |
| Heavy Atoms | 31 |
| Complexity | 1088.772 |
Chemical Identifiers
| CAS Number | 540516-69-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C |
Product Overview
AO-080/42479757 (CAS 540516-69-6), with molecular formula C24H24N2O4S and molecular weight 436.15 g/mol. IUPAC: ethyl 5-(benzylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of AO-080/42479757
Property Insights of AO-080/42479757
The XLogP value of 4.72394 indicates that AO-080/42479757 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479757. Following Lipinski's Rule of Five, AO-080/42479757 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-080/42479757?
The CAS number of AO-080/42479757 is 540516-69-6.
What is the molecular formula of AO-080/42479757?
The molecular formula of AO-080/42479757 is C24H24N2O4S.
What is the molecular weight of AO-080/42479757?
The molecular weight of AO-080/42479757 is 436.15 g/mol.
Where can I buy AO-080/42479757?
You can request a quote for AO-080/42479757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479757?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.