![(5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/716/716340-41-9.png)
(5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 716340-41-9) is a chemical compound with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(heptyliminomethyl)-6-hydroxy-1-phenyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-5-((heptylamino)methylene)-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C18H23N3O2S |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | 3.98999 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.1511 |
| Heavy Atoms | 24 |
| Complexity | 794.14655 |
Chemical Identifiers
| CAS Number | 716340-41-9 |
|---|---|
| SMILES | CCCCCCCN=CC1=C(N(C(=S)NC1=O)C2=CC=CC=C2)O |
Product Overview
(5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 716340-41-9), with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol. IUPAC: 5-(heptyliminomethyl)-6-hydroxy-1-phenyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.98999 indicates that (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione 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 (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 716340-41-9.
What is the molecular formula of (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C18H23N3O2S.
What is the molecular weight of (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 345.15 g/mol.
Where can I buy (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.