二邻甲苯胍
TL;DR: 二邻甲苯胍 (CAS 97-39-2) is a chemical compound with molecular formula C15H17N3 and molecular weight 239.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二邻甲苯胍
1,2-bis(2-methylphenyl)guanidine
Also Known As: 1,3-Di-o-tolylguanidine, ditolylguanidine, Di-o-tolylguanidine, Vulkacit DOTG, DOTG
| Molecular Formula | C15H17N3 |
|---|---|
| Molecular Weight | 239.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.14224 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
| Melting Point | 179 °C |
| Density | 1.10 @ 20 °C |
| Solubility | SLIGHTLY SOL IN HOT WATER, ALC; VERY SOL IN ETHER; SOL IN CHLOROFORM |
Chemical Identifiers
| CAS Number | 97-39-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N |
| InChIKey | OPNUROKCUBTKLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二邻甲苯胍 (CAS 97-39-2), with molecular formula C15H17N3 and molecular weight 239.14 g/mol. IUPAC: 1,2-bis(2-methylphenyl)guanidine.
Chemical Property Profile of 二邻甲苯胍
Property Insights of 二邻甲苯胍
The XLogP value of 3.1 indicates that 二邻甲苯胍 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 二邻甲苯胍 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二邻甲苯胍 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 二邻甲苯胍?
The CAS number of 二邻甲苯胍 is 97-39-2.
What is the molecular formula of 二邻甲苯胍?
The molecular formula of 二邻甲苯胍 is C15H17N3.
What is the molecular weight of 二邻甲苯胍?
The molecular weight of 二邻甲苯胍 is 239.14 g/mol.
Where can I buy 二邻甲苯胍?
You can request a quote for 二邻甲苯胍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二邻甲苯胍?
Yes, KEHONG BIO provides custom synthesis services for 二邻甲苯胍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.