AO-081/41194940
TL;DR: AO-081/41194940 (CAS 1239735-34-2) is a chemical compound with molecular formula C22H21ClN4O5 and molecular weight 456.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chlorobenzoate
Also Known As: AO-081/41194940, ethyl 5-{5-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]furan-2-yl}-2-chlorobenzoate, ethyl 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chlorobenzoate, ethyl 5-{5-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-furyl}-2-chlorobenzoate, Ethyl 5-[5-[bis(2,3-dihydro-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-furanyl]-2-chlorobenzoate
| Molecular Formula | C22H21ClN4O5 |
|---|---|
| Molecular Weight | 456.12 g/mol |
| LogP | 3.60654 |
| Topological Polar Surface Area | 136.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.12006 |
| Heavy Atoms | 32 |
| Complexity | 1349.804 |
Chemical Identifiers
| CAS Number | 1239735-34-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)Cl |
Product Overview
AO-081/41194940 (CAS 1239735-34-2), with molecular formula C22H21ClN4O5 and molecular weight 456.12 g/mol. IUPAC: ethyl 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chlorobenzoate.
Chemical Property Profile of AO-081/41194940
Property Insights of AO-081/41194940
The XLogP value of 3.60654 indicates that AO-081/41194940 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41194940. Following Lipinski's Rule of Five, AO-081/41194940 has 4 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-081/41194940?
The CAS number of AO-081/41194940 is 1239735-34-2.
What is the molecular formula of AO-081/41194940?
The molecular formula of AO-081/41194940 is C22H21ClN4O5.
What is the molecular weight of AO-081/41194940?
The molecular weight of AO-081/41194940 is 456.12 g/mol.
Where can I buy AO-081/41194940?
You can request a quote for AO-081/41194940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41194940?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41194940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.