![5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/863/86327-61-9.png)
5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 86327-61-9) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-{[(4-methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione, J3.370.517D, AB00076356-01, F3220-0505, A0521/0024119
| Molecular Formula | C12H11N3O3S |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.05212 |
| Heavy Atoms | 19 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 86327-61-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=CC2=C(NC(=S)NC2=O)O |
| InChIKey | AVVNJWIABUFQBB-UHFFFAOYSA-N |
Product Overview
5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 86327-61-9), with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol. IUPAC: 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione has 3 hydrogen bond donor(s) and 5 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 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione is 86327-61-9.
What is the molecular formula of 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione is C12H11N3O3S.
What is the molecular weight of 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione is 277.05 g/mol.
Where can I buy 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-Methoxyphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.