AP-828/40996993
TL;DR: AP-828/40996993 (CAS 444554-79-4) is a chemical compound with molecular formula C18H15N3O4S and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid
Also Known As: AP-828/40996993, (3-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetic acid, (E)-2-(3-((1-allyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)acetic acid, 2-[3-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid, (3-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)acetic acid
| Molecular Formula | C18H15N3O4S |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 1.5386 |
| Topological Polar Surface Area | 91.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.07834 |
| Heavy Atoms | 26 |
| Complexity | 989.4827 |
Chemical Identifiers
| CAS Number | 444554-79-4 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C(=O)NC1=S |
Product Overview
AP-828/40996993 (CAS 444554-79-4), with molecular formula C18H15N3O4S and molecular weight 369.08 g/mol. IUPAC: 2-[3-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid.
Chemical Property Profile of AP-828/40996993
Property Insights of AP-828/40996993
The XLogP value of 1.5386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-828/40996993. The TPSA of 91.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/40996993. Following Lipinski's Rule of Five, AP-828/40996993 has 2 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-828/40996993?
The CAS number of AP-828/40996993 is 444554-79-4.
What is the molecular formula of AP-828/40996993?
The molecular formula of AP-828/40996993 is C18H15N3O4S.
What is the molecular weight of AP-828/40996993?
The molecular weight of AP-828/40996993 is 369.08 g/mol.
Where can I buy AP-828/40996993?
You can request a quote for AP-828/40996993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/40996993?
Yes, KEHONG BIO provides custom synthesis services for AP-828/40996993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.