![(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/714/714918-36-2.png)
(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 714918-36-2) is a chemical compound with molecular formula C22H27N3O4S and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[(3,5-dimethoxyphenyl)methylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((3,5-dimethoxybenzyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-[2-(cyclohexen-1-yl)ethyl]-5-[[(3,5-dimethoxyphenyl)methylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C22H27N3O4S |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 4.13829 |
| Topological Polar Surface Area | 88.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.17224 |
| Heavy Atoms | 30 |
| Complexity | 1046.778 |
Chemical Identifiers
| CAS Number | 714918-36-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)CN=CC2=C(N(C(=S)NC2=O)CCC3=CCCCC3)O)OC |
Product Overview
(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 714918-36-2), with molecular formula C22H27N3O4S and molecular weight 429.17 g/mol. IUPAC: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.13829 indicates that (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 6 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)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 714918-36-2.
What is the molecular formula of (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C22H27N3O4S.
What is the molecular weight of (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 429.17 g/mol.
Where can I buy (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-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)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.