N-乙基-2-苯基双胍
TL;DR: N-乙基-2-苯基双胍 (CAS 39562-67-9) is a chemical compound with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-乙基-2-苯基双胍
4-ethyl-1-phenyl-1,2,4-triazolidine-3,5-dione
Also Known As: N-Ethyl-2-phenylbicarbamimide, Bicarbamimide, N-ethyl-2-phenyl-, 4-ethyl-1-phenyl-1,2,4-triazolidine-3,5-dione, 1,2,4-Triazolidine-3,5-dione, 4-ethyl-1-phenyl-, 0-26-00-00199 (Beilstein Handbook Reference)
| Molecular Formula | C10H11N3O2 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.08513 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 39562-67-9 |
|---|---|
| SMILES | CCN1C(=O)NN(C1=O)C2=CC=CC=C2 |
| InChIKey | FMAWBQSUVRUERV-UHFFFAOYSA-N |
Product Overview
N-乙基-2-苯基双胍 (CAS 39562-67-9), with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol. IUPAC: 4-ethyl-1-phenyl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of N-乙基-2-苯基双胍
Property Insights of N-乙基-2-苯基双胍
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-乙基-2-苯基双胍. With a topological polar surface area (TPSA) of 52.7 Ų, N-乙基-2-苯基双胍 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-乙基-2-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 N-乙基-2-苯基双胍?
The CAS number of N-乙基-2-苯基双胍 is 39562-67-9.
What is the molecular formula of N-乙基-2-苯基双胍?
The molecular formula of N-乙基-2-苯基双胍 is C10H11N3O2.
What is the molecular weight of N-乙基-2-苯基双胍?
The molecular weight of N-乙基-2-苯基双胍 is 205.09 g/mol.
Where can I buy N-乙基-2-苯基双胍?
You can request a quote for N-乙基-2-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 N-乙基-2-苯基双胍?
Yes, KEHONG BIO provides custom synthesis services for N-乙基-2-苯基双胍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.