AM-879/40861538
TL;DR: AM-879/40861538 (CAS 445455-79-8) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
Also Known As: AM-879/40861538, 4-(2-((1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid, 4-[2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid, 4-{2-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid, 4-{2-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.5544 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 963.13464 |
Chemical Identifiers
| CAS Number | 445455-79-8 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)C(=O)O)C(=O)N(C1=S)CC |
Product Overview
AM-879/40861538 (CAS 445455-79-8), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: 4-[2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of AM-879/40861538
Property Insights of AM-879/40861538
The XLogP value of 2.5544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AM-879/40861538. The TPSA of 82.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AM-879/40861538. Following Lipinski's Rule of Five, AM-879/40861538 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 AM-879/40861538?
The CAS number of AM-879/40861538 is 445455-79-8.
What is the molecular formula of AM-879/40861538?
The molecular formula of AM-879/40861538 is C20H19N3O4S.
What is the molecular weight of AM-879/40861538?
The molecular weight of AM-879/40861538 is 397.11 g/mol.
Where can I buy AM-879/40861538?
You can request a quote for AM-879/40861538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AM-879/40861538?
Yes, KEHONG BIO provides custom synthesis services for AM-879/40861538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.