AO-081/15384099
TL;DR: AO-081/15384099 (CAS 347332-51-8) is a chemical compound with molecular formula C20H19Cl2N3O3S and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3,5-dichlorophenyl)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AO-081/15384099, (E)-1-(3,5-dichlorophenyl)-5-((1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(3,5-dichlorophenyl)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(3,5-dichlorophenyl)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-1-(3,5-dichlorophenyl)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C20H19Cl2N3O3S |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 3.88944 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.05243 |
| Heavy Atoms | 29 |
| Complexity | 1025.5826 |
Chemical Identifiers
| CAS Number | 347332-51-8 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC(=C3)Cl)Cl |
Product Overview
AO-081/15384099 (CAS 347332-51-8), with molecular formula C20H19Cl2N3O3S and molecular weight 451.05 g/mol. IUPAC: (5E)-1-(3,5-dichlorophenyl)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AO-081/15384099
Property Insights of AO-081/15384099
The XLogP value of 3.88944 indicates that AO-081/15384099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15384099. Following Lipinski's Rule of Five, AO-081/15384099 has 1 hydrogen bond donor(s) and 4 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-081/15384099?
The CAS number of AO-081/15384099 is 347332-51-8.
What is the molecular formula of AO-081/15384099?
The molecular formula of AO-081/15384099 is C20H19Cl2N3O3S.
What is the molecular weight of AO-081/15384099?
The molecular weight of AO-081/15384099 is 451.05 g/mol.
Where can I buy AO-081/15384099?
You can request a quote for AO-081/15384099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15384099?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15384099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.