AP-828/40997129
TL;DR: AP-828/40997129 (CAS 444116-93-2) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AP-828/40997129, 5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-((1-(4-methoxyphenyl)-1H-pyrrol-2-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 2.0846 |
| Topological Polar Surface Area | 54.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 857.2262 |
Chemical Identifiers
| CAS Number | 444116-93-2 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)OC)C(=O)N(C1=S)C |
Product Overview
AP-828/40997129 (CAS 444116-93-2), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: 5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AP-828/40997129
Property Insights of AP-828/40997129
The XLogP value of 2.0846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-828/40997129. With a topological polar surface area (TPSA) of 54.78 Ų, AP-828/40997129 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-828/40997129 has 0 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 AP-828/40997129?
The CAS number of AP-828/40997129 is 444116-93-2.
What is the molecular formula of AP-828/40997129?
The molecular formula of AP-828/40997129 is C18H17N3O3S.
What is the molecular weight of AP-828/40997129?
The molecular weight of AP-828/40997129 is 355.10 g/mol.
Where can I buy AP-828/40997129?
You can request a quote for AP-828/40997129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/40997129?
Yes, KEHONG BIO provides custom synthesis services for AP-828/40997129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.