AO-081/41806087
TL;DR: AO-081/41806087 (CAS 693797-96-5) is a chemical compound with molecular formula C21H24N4O4S2 and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AO-081/41806087, ethyl 2-[({[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H24N4O4S2 |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 4.4058 |
| Topological Polar Surface Area | 99.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.1239 |
| Heavy Atoms | 31 |
| Complexity | 1071.7649 |
Chemical Identifiers
| CAS Number | 693797-96-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C4=CC=CO4 |
Product Overview
AO-081/41806087 (CAS 693797-96-5), with molecular formula C21H24N4O4S2 and molecular weight 460.12 g/mol. IUPAC: ethyl 2-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AO-081/41806087
Property Insights of AO-081/41806087
The XLogP value of 4.4058 indicates that AO-081/41806087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41806087. Following Lipinski's Rule of Five, AO-081/41806087 has 1 hydrogen bond donor(s) and 8 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-081/41806087?
The CAS number of AO-081/41806087 is 693797-96-5.
What is the molecular formula of AO-081/41806087?
The molecular formula of AO-081/41806087 is C21H24N4O4S2.
What is the molecular weight of AO-081/41806087?
The molecular weight of AO-081/41806087 is 460.12 g/mol.
Where can I buy AO-081/41806087?
You can request a quote for AO-081/41806087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41806087?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41806087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.