2-烯丙基-3-苯基双胍
TL;DR: 2-烯丙基-3-苯基双胍 (CAS 56494-92-9) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-烯丙基-3-苯基双胍
1-phenyl-2-prop-2-enyl-1,2,4-triazolidine-3,5-dione
Also Known As: Bicarbamimide, 2-allyl-3-phenyl-, 2-Allyl-3-phenylbicarbamimide, UR 57, 5-26-05-00251 (Beilstein Handbook Reference), 1,2,4-Triazolidine-3,5-dione, 1-phenyl-2-(2-propenyl)-
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 56494-92-9 |
|---|---|
| SMILES | C=CCN1C(=O)NC(=O)N1C2=CC=CC=C2 |
| InChIKey | GBYQFPPORAGNAE-UHFFFAOYSA-N |
Product Overview
2-烯丙基-3-苯基双胍 (CAS 56494-92-9), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 1-phenyl-2-prop-2-enyl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of 2-烯丙基-3-苯基双胍
Property Insights of 2-烯丙基-3-苯基双胍
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-烯丙基-3-苯基双胍. With a topological polar surface area (TPSA) of 52.7 Ų, 2-烯丙基-3-苯基双胍 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-烯丙基-3-苯基双胍 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 2-烯丙基-3-苯基双胍?
The CAS number of 2-烯丙基-3-苯基双胍 is 56494-92-9.
What is the molecular formula of 2-烯丙基-3-苯基双胍?
The molecular formula of 2-烯丙基-3-苯基双胍 is C11H11N3O2.
What is the molecular weight of 2-烯丙基-3-苯基双胍?
The molecular weight of 2-烯丙基-3-苯基双胍 is 217.09 g/mol.
Where can I buy 2-烯丙基-3-苯基双胍?
You can request a quote for 2-烯丙基-3-苯基双胍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-烯丙基-3-苯基双胍?
Yes, KEHONG BIO provides custom synthesis services for 2-烯丙基-3-苯基双胍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.