苄二甲胍
TL;DR: 苄二甲胍 (CAS 55-73-2) is a chemical compound with molecular formula C10H15N3 and molecular weight 177.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄二甲胍
1-benzyl-2,3-dimethylguanidine
Also Known As: Bethanidine, Betanidine, Betanidina, Betanidinum, Tenathan
| Molecular Formula | C10H15N3 |
|---|---|
| Molecular Weight | 177.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.1266 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| Melting Point | 196 |
| Solubility | 1.58e+00 g/L |
Chemical Identifiers
| CAS Number | 55-73-2 |
|---|---|
| SMILES | CNC(=NC)NCC1=CC=CC=C1 |
| InChIKey | NIVZHWNOUVJHKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄二甲胍 (CAS 55-73-2), with molecular formula C10H15N3 and molecular weight 177.13 g/mol. IUPAC: 1-benzyl-2,3-dimethylguanidine.
Chemical Property Profile of 苄二甲胍
Property Insights of 苄二甲胍
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄二甲胍. With a topological polar surface area (TPSA) of 36.4 Ų, 苄二甲胍 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄二甲胍 has 2 hydrogen bond donor(s) and 1 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 苄二甲胍?
The CAS number of 苄二甲胍 is 55-73-2.
What is the molecular formula of 苄二甲胍?
The molecular formula of 苄二甲胍 is C10H15N3.
What is the molecular weight of 苄二甲胍?
The molecular weight of 苄二甲胍 is 177.13 g/mol.
Where can I buy 苄二甲胍?
You can request a quote for 苄二甲胍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄二甲胍?
Yes, KEHONG BIO provides custom synthesis services for 苄二甲胍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.