二苯胍
TL;DR: 二苯胍 (CAS 102-06-7) is a chemical compound with molecular formula C13H13N3 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯胍
1,2-diphenylguanidine
Also Known As: 1,3-Diphenylguanidine, Diphenylguanidine, Vulkazit, Melaniline, Accelerator D
| Molecular Formula | C13H13N3 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.11095 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
| Melting Point | 150.0 °C |
| Boiling Point | Decomposes >170.0 °C |
| Density | 1.13 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 197.8 °C |
| Vapor Pressure | Negligible |
Chemical Identifiers
| CAS Number | 102-06-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N |
| InChIKey | OWRCNXZUPFZXOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯胍 (CAS 102-06-7), with molecular formula C13H13N3 and molecular weight 211.11 g/mol. IUPAC: 1,2-diphenylguanidine.
Chemical Property Profile of 二苯胍
Property Insights of 二苯胍
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二苯胍. With a topological polar surface area (TPSA) of 50.4 Ų, 二苯胍 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯胍 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 二苯胍?
The CAS number of 二苯胍 is 102-06-7.
What is the molecular formula of 二苯胍?
The molecular formula of 二苯胍 is C13H13N3.
What is the molecular weight of 二苯胍?
The molecular weight of 二苯胍 is 211.11 g/mol.
Where can I buy 二苯胍?
You can request a quote for 二苯胍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯胍?
Yes, KEHONG BIO provides custom synthesis services for 二苯胍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.