![5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione structure](/static/products/117/1176087-65-2.png)
5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione (CAS 1176087-65-2) is a chemical compound with molecular formula C11H8ClN3O2 and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylideneamino]-1H-pyrimidine-2,4-dione
Also Known As: DivK1c_004928, CDS1_003888, BIM-0017543.P001, 5-[(4-chlorobenzylidene)amino]-2,4(1H,3H)-pyrimidinedione, 5-[(4-chlorophenyl)methylideneamino]-1H-pyrimidine-2,4-dione
| Molecular Formula | C11H8ClN3O2 |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0305 |
| Heavy Atoms | 17 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 1176087-65-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NC2=CNC(=O)NC2=O)Cl |
| InChIKey | XBHOUNODMZZTMZ-UHFFFAOYSA-N |
Product Overview
5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione (CAS 1176087-65-2), with molecular formula C11H8ClN3O2 and molecular weight 249.03 g/mol. IUPAC: 5-[(4-chlorophenyl)methylideneamino]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 3 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-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione is 1176087-65-2.
What is the molecular formula of 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione is C11H8ClN3O2.
What is the molecular weight of 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione is 249.03 g/mol.
Where can I buy 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.