AO-081/14338038
TL;DR: AO-081/14338038 (CAS 340300-68-7) is a chemical compound with molecular formula C23H26N4OS2 and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(Z)-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: AO-081/14338038, 2-(3-{(Z)-[(2E)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-(3-((Z)-((E)-3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-(3-{[3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[3-[(Z)-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C23H26N4OS2 |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 5.21822 |
| Topological Polar Surface Area | 61.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.15482 |
| Heavy Atoms | 30 |
| Complexity | 1113.411 |
Chemical Identifiers
| CAS Number | 340300-68-7 |
|---|---|
| SMILES | CCN=C1N(C(=O)/C(=C/C2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C#N)C)/S1)CC |
Product Overview
AO-081/14338038 (CAS 340300-68-7), with molecular formula C23H26N4OS2 and molecular weight 438.15 g/mol. IUPAC: 2-[3-[(Z)-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of AO-081/14338038
Property Insights of AO-081/14338038
The XLogP value of 5.21822 indicates that AO-081/14338038 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-081/14338038. Following Lipinski's Rule of Five, AO-081/14338038 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/14338038?
The CAS number of AO-081/14338038 is 340300-68-7.
What is the molecular formula of AO-081/14338038?
The molecular formula of AO-081/14338038 is C23H26N4OS2.
What is the molecular weight of AO-081/14338038?
The molecular weight of AO-081/14338038 is 438.15 g/mol.
Where can I buy AO-081/14338038?
You can request a quote for AO-081/14338038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/14338038?
Yes, KEHONG BIO provides custom synthesis services for AO-081/14338038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.