Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-
TL;DR: Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl- (CAS 5301-92-8) is a chemical compound with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxymethyl)-1-phenyl-2-propan-2-yl-1,2,4-triazolidine-3,5-dione
Also Known As: UR 93, Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-, N-(Hydroxymethyl)-2-isopropyl-3-phenylbicarbamimide, 5-26-05-00249 (Beilstein Handbook Reference), 1,2,4-Triazolidine-3,5-dione, 4-(hydroxymethyl)-1-isopropyl-2-phenyl-
| Molecular Formula | C12H15N3O3 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.11134 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 5301-92-8 |
|---|---|
| SMILES | CC(C)N1C(=O)N(C(=O)N1C2=CC=CC=C2)CO |
| InChIKey | OPXZNLYIUMSHTF-UHFFFAOYSA-N |
Product Overview
Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl- (CAS 5301-92-8), with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol. IUPAC: 4-(hydroxymethyl)-1-phenyl-2-propan-2-yl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-
Property Insights of Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-. Following Lipinski's Rule of Five, Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl- has 1 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 Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-?
The CAS number of Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl- is 5301-92-8.
What is the molecular formula of Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-?
The molecular formula of Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl- is C12H15N3O3.
What is the molecular weight of Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-?
The molecular weight of Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl- is 249.11 g/mol.
Where can I buy Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-?
You can request a quote for Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicarbamimide, N-(hydroxymethyl)-2-isopropyl-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.