5-(4-Chloroanilino)-1,3-diazinane-2,4-dione
TL;DR: 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione (CAS 721-36-8) is a chemical compound with molecular formula C10H10ClN3O2 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chloroanilino)-1,3-diazinane-2,4-dione
Also Known As: 5-(4-chloroanilino)-1,3-diazinane-2,4-dione, 5-<4-Chlor-anilino>-5,6-dihydro-uracil, 5-((4-Chlorophenyl)amino)dihydropyrimidine-2,4(1H,3H)-dione, 5-[(4-chlorophenyl)amino]dihydropyrimidine-2,4(1h,3h)-dione, 2,4(1H,3H)-Pyrimidinedione,5-[(4-chlorophenyl)amino]dihydro-
| Molecular Formula | C10H10ClN3O2 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.04616 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 721-36-8 |
|---|---|
| SMILES | C1C(C(=O)NC(=O)N1)NC2=CC=C(C=C2)Cl |
| InChIKey | XTAXYZXWJVLJSD-UHFFFAOYSA-N |
Product Overview
5-(4-Chloroanilino)-1,3-diazinane-2,4-dione (CAS 721-36-8), with molecular formula C10H10ClN3O2 and molecular weight 239.05 g/mol. IUPAC: 5-(4-chloroanilino)-1,3-diazinane-2,4-dione.
Chemical Property Profile of 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione
Property Insights of 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione. Following Lipinski's Rule of Five, 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione has 3 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-(4-Chloroanilino)-1,3-diazinane-2,4-dione?
The CAS number of 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione is 721-36-8.
What is the molecular formula of 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione?
The molecular formula of 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione is C10H10ClN3O2.
What is the molecular weight of 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione?
The molecular weight of 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione is 239.05 g/mol.
Where can I buy 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione?
You can request a quote for 5-(4-Chloroanilino)-1,3-diazinane-2,4-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-Chloroanilino)-1,3-diazinane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chloroanilino)-1,3-diazinane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.