AH-487/40935491
TL;DR: AH-487/40935491 (CAS 1164463-49-3) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AH-487/40935491, (5E)-5-{[2,5-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (E)-5-((2,5-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[[2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[2,5-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 2.05406 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 942.54785 |
Chemical Identifiers
| CAS Number | 1164463-49-3 |
|---|---|
| SMILES | CC1=CC(=NC=C1)N2C(=CC(=C2C)/C=C/3\C(=O)NC(=S)N(C3=O)C)C |
Product Overview
AH-487/40935491 (CAS 1164463-49-3), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: (5E)-5-[[2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AH-487/40935491
Property Insights of AH-487/40935491
The XLogP value of 2.05406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AH-487/40935491. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/40935491. Following Lipinski's Rule of Five, AH-487/40935491 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 AH-487/40935491?
The CAS number of AH-487/40935491 is 1164463-49-3.
What is the molecular formula of AH-487/40935491?
The molecular formula of AH-487/40935491 is C18H18N4O2S.
What is the molecular weight of AH-487/40935491?
The molecular weight of AH-487/40935491 is 354.12 g/mol.
Where can I buy AH-487/40935491?
You can request a quote for AH-487/40935491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/40935491?
Yes, KEHONG BIO provides custom synthesis services for AH-487/40935491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.