Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione
TL;DR: Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione (CAS 89584-22-5) is a chemical compound with molecular formula C12H12BrN3O5 and molecular weight 357.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione
Also Known As: 1-Methoxycarbonyl-2,2-diheptyl-hydrazin, acetic acid,5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione, 5-[(4-bromophenyl)amino]pyrimidine-2,4,6(1h,3h,5h)-trione acetate(1:1), acetic acid; 5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione, Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C12H12BrN3O5 |
|---|---|
| Molecular Weight | 357.00 g/mol |
| LogP | 0.6865 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.99603 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 89584-22-5 |
|---|---|
| SMILES | CC(=O)O.C1=CC(=CC=C1NC2C(=O)NC(=O)NC2=O)Br |
| InChIKey | GGSPMLYRJFADIR-UHFFFAOYSA-N |
Product Overview
Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione (CAS 89584-22-5), with molecular formula C12H12BrN3O5 and molecular weight 357.00 g/mol. IUPAC: acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione
Property Insights of Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione
The XLogP value of 0.6865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione has 4 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 Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione?
The CAS number of Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione is 89584-22-5.
What is the molecular formula of Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione?
The molecular formula of Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione is C12H12BrN3O5.
What is the molecular weight of Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione?
The molecular weight of Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione is 357.00 g/mol.
Where can I buy Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione?
You can request a quote for Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid;5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.