AO-081/41131237
TL;DR: AO-081/41131237 (CAS 499111-93-2) is a chemical compound with molecular formula C25H20N2O6S and molecular weight 476.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(E)-[2-(4-methoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
Also Known As: AO-081/41131237, methyl 4-[5-[(E)-[2-(4-methoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate, methyl 4-{5-[(2-{[4-(methoxycarbonyl)phenyl]imino}-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}benzoate, methyl 4-((Z)-((E)-5-((5-(4-(methoxycarbonyl)phenyl)furan-2-yl)methylene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate, methyl 4-{[(2Z,5E)-5-({5-[4-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
| Molecular Formula | C25H20N2O6S |
|---|---|
| Molecular Weight | 476.10 g/mol |
| LogP | 4.7536 |
| Topological Polar Surface Area | 98.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.10422 |
| Heavy Atoms | 34 |
| Complexity | 1305.9336 |
Chemical Identifiers
| CAS Number | 499111-93-2 |
|---|---|
| SMILES | CN1C(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)/SC1=NC4=CC=C(C=C4)C(=O)OC |
Product Overview
AO-081/41131237 (CAS 499111-93-2), with molecular formula C25H20N2O6S and molecular weight 476.10 g/mol. IUPAC: methyl 4-[5-[(E)-[2-(4-methoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of AO-081/41131237
Property Insights of AO-081/41131237
The XLogP value of 4.7536 indicates that AO-081/41131237 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41131237. Following Lipinski's Rule of Five, AO-081/41131237 has 0 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-081/41131237?
The CAS number of AO-081/41131237 is 499111-93-2.
What is the molecular formula of AO-081/41131237?
The molecular formula of AO-081/41131237 is C25H20N2O6S.
What is the molecular weight of AO-081/41131237?
The molecular weight of AO-081/41131237 is 476.10 g/mol.
Where can I buy AO-081/41131237?
You can request a quote for AO-081/41131237 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41131237?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41131237 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.