AO-081/40799949
TL;DR: AO-081/40799949 (CAS 433693-69-7) is a chemical compound with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AO-081/40799949, (5Z)-5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C25H21N3O5S |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 3.66274 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.12018 |
| Heavy Atoms | 34 |
| Complexity | 1373.9331 |
Chemical Identifiers
| CAS Number | 433693-69-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C\4/C(=O)NC(=S)N(C4=O)C5=CC=C(C=C5)OC |
Product Overview
AO-081/40799949 (CAS 433693-69-7), with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol. IUPAC: (5Z)-5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AO-081/40799949
Property Insights of AO-081/40799949
The XLogP value of 3.66274 indicates that AO-081/40799949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40799949. Following Lipinski's Rule of Five, AO-081/40799949 has 1 hydrogen bond donor(s) and 6 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-081/40799949?
The CAS number of AO-081/40799949 is 433693-69-7.
What is the molecular formula of AO-081/40799949?
The molecular formula of AO-081/40799949 is C25H21N3O5S.
What is the molecular weight of AO-081/40799949?
The molecular weight of AO-081/40799949 is 475.12 g/mol.
Where can I buy AO-081/40799949?
You can request a quote for AO-081/40799949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40799949?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40799949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.