Bicarbamimide, 2-(2-butenyl)-3-phenyl-
TL;DR: Bicarbamimide, 2-(2-butenyl)-3-phenyl- (CAS 34873-96-6) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-but-2-enyl]-2-phenyl-1,2,4-triazolidine-3,5-dione
Also Known As: 2-(2-Butenyl)-3-phenylbicarbamimide, Bicarbamimide, 2-(2-butenyl)-3-phenyl-, 1,2,4-Triazolidine-3,5-dione, 1-(2-butenyl)-2-phenyl-, 5-26-05-00251 (Beilstein Handbook Reference), 1-[(E)-but-2-enyl]-2-phenyl-1,2,4-triazolidine-3,5-dione
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 0.9034 |
| Topological Polar Surface Area | 59.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 631.7606 |
Chemical Identifiers
| CAS Number | 34873-96-6 |
|---|---|
| SMILES | C/C=C/CN1C(=O)NC(=O)N1C2=CC=CC=C2 |
Product Overview
Bicarbamimide, 2-(2-butenyl)-3-phenyl- (CAS 34873-96-6), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 1-[(E)-but-2-enyl]-2-phenyl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of Bicarbamimide, 2-(2-butenyl)-3-phenyl-
Property Insights of Bicarbamimide, 2-(2-butenyl)-3-phenyl-
The XLogP value of 0.9034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicarbamimide, 2-(2-butenyl)-3-phenyl-. With a topological polar surface area (TPSA) of 59.79 Ų, Bicarbamimide, 2-(2-butenyl)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicarbamimide, 2-(2-butenyl)-3-phenyl- has 1 hydrogen bond donor(s) and 2 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, 2-(2-butenyl)-3-phenyl-?
The CAS number of Bicarbamimide, 2-(2-butenyl)-3-phenyl- is 34873-96-6.
What is the molecular formula of Bicarbamimide, 2-(2-butenyl)-3-phenyl-?
The molecular formula of Bicarbamimide, 2-(2-butenyl)-3-phenyl- is C12H13N3O2.
What is the molecular weight of Bicarbamimide, 2-(2-butenyl)-3-phenyl-?
The molecular weight of Bicarbamimide, 2-(2-butenyl)-3-phenyl- is 231.10 g/mol.
Where can I buy Bicarbamimide, 2-(2-butenyl)-3-phenyl-?
You can request a quote for Bicarbamimide, 2-(2-butenyl)-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, 2-(2-butenyl)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicarbamimide, 2-(2-butenyl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.