AO-081/40671451
TL;DR: AO-081/40671451 (CAS 443298-13-3) is a chemical compound with molecular formula C24H26N4O2S2 and molecular weight 466.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: AO-081/40671451, 2-{3-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-(3-((1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-[3-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-{3-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C24H26N4O2S2 |
|---|---|
| Molecular Weight | 466.15 g/mol |
| LogP | 4.28502 |
| Topological Polar Surface Area | 69.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.14972 |
| Heavy Atoms | 32 |
| Complexity | 1183.6573 |
Chemical Identifiers
| CAS Number | 443298-13-3 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C#N)C)C(=O)N(C1=S)CC |
Product Overview
AO-081/40671451 (CAS 443298-13-3), with molecular formula C24H26N4O2S2 and molecular weight 466.15 g/mol. IUPAC: 2-[3-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of AO-081/40671451
Property Insights of AO-081/40671451
The XLogP value of 4.28502 indicates that AO-081/40671451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40671451. Following Lipinski's Rule of Five, AO-081/40671451 has 0 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-081/40671451?
The CAS number of AO-081/40671451 is 443298-13-3.
What is the molecular formula of AO-081/40671451?
The molecular formula of AO-081/40671451 is C24H26N4O2S2.
What is the molecular weight of AO-081/40671451?
The molecular weight of AO-081/40671451 is 466.15 g/mol.
Where can I buy AO-081/40671451?
You can request a quote for AO-081/40671451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40671451?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40671451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.