AP-828/40997130
TL;DR: AP-828/40997130 (CAS 455328-41-3) is a chemical compound with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AP-828/40997130, (5Z)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (Z)-1-allyl-5-((1-(4-methoxyphenyl)-1H-pyrrol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C19H17N3O3S |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 2.2986 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.09906 |
| Heavy Atoms | 26 |
| Complexity | 912.3655 |
Chemical Identifiers
| CAS Number | 455328-41-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C=CC=C2/C=C\3/C(=O)NC(=S)N(C3=O)CC=C |
Product Overview
AP-828/40997130 (CAS 455328-41-3), with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol. IUPAC: (5Z)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AP-828/40997130
Property Insights of AP-828/40997130
The XLogP value of 2.2986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-828/40997130. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/40997130. Following Lipinski's Rule of Five, AP-828/40997130 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 AP-828/40997130?
The CAS number of AP-828/40997130 is 455328-41-3.
What is the molecular formula of AP-828/40997130?
The molecular formula of AP-828/40997130 is C19H17N3O3S.
What is the molecular weight of AP-828/40997130?
The molecular weight of AP-828/40997130 is 367.10 g/mol.
Where can I buy AP-828/40997130?
You can request a quote for AP-828/40997130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/40997130?
Yes, KEHONG BIO provides custom synthesis services for AP-828/40997130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.