AO-081/14336011
TL;DR: AO-081/14336011 (CAS 340310-84-1) is a chemical compound with molecular formula C26H24N4OS and molecular weight 440.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dimethyl-3-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: AO-081/14336011, 2-{2,5-dimethyl-3-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, (Z)-2-(2,5-dimethyl-3-((3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-[2,5-dimethyl-3-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-{2,5-DIMETHYL-3-[(3-METHYL-5-OXO-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDEN)METHYL]-1H-PYRROL-1-YL}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-3-YL CYANIDE
| Molecular Formula | C26H24N4OS |
|---|---|
| Molecular Weight | 440.17 g/mol |
| LogP | 5.71222 |
| Topological Polar Surface Area | 61.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.16708 |
| Heavy Atoms | 32 |
| Complexity | 1334.2992 |
Chemical Identifiers
| CAS Number | 340310-84-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)/C=C\4/C(=NN(C4=O)C5=CC=CC=C5)C |
Product Overview
AO-081/14336011 (CAS 340310-84-1), with molecular formula C26H24N4OS and molecular weight 440.17 g/mol. IUPAC: 2-[2,5-dimethyl-3-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of AO-081/14336011
Property Insights of AO-081/14336011
The XLogP value of 5.71222 indicates that AO-081/14336011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/14336011. Following Lipinski's Rule of Five, AO-081/14336011 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/14336011?
The CAS number of AO-081/14336011 is 340310-84-1.
What is the molecular formula of AO-081/14336011?
The molecular formula of AO-081/14336011 is C26H24N4OS.
What is the molecular weight of AO-081/14336011?
The molecular weight of AO-081/14336011 is 440.17 g/mol.
Where can I buy AO-081/14336011?
You can request a quote for AO-081/14336011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/14336011?
Yes, KEHONG BIO provides custom synthesis services for AO-081/14336011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.