o-Tolylbiguanide
TL;DR: o-Tolylbiguanide (CAS 93-69-6) is a chemical compound with molecular formula C9H13N5 and molecular weight 191.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
Also Known As: 1-(o-Tolyl)biguanide, o-Tolylbiguanide, Sopanox, Aliant, 2-Tolylbiguanide
| Molecular Formula | C9H13N5 |
|---|---|
| Molecular Weight | 191.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.1171 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 93-69-6 |
|---|---|
| SMILES | CC1=CC=CC=C1N=C(N)N=C(N)N |
| InChIKey | SQZCAOHYQSOZCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Tolylbiguanide (CAS 93-69-6), with molecular formula C9H13N5 and molecular weight 191.12 g/mol. IUPAC: 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine.
Chemical Property Profile of o-Tolylbiguanide
Property Insights of o-Tolylbiguanide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Tolylbiguanide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Tolylbiguanide. Following Lipinski's Rule of Five, o-Tolylbiguanide has 3 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 o-Tolylbiguanide?
The CAS number of o-Tolylbiguanide is 93-69-6.
What is the molecular formula of o-Tolylbiguanide?
The molecular formula of o-Tolylbiguanide is C9H13N5.
What is the molecular weight of o-Tolylbiguanide?
The molecular weight of o-Tolylbiguanide is 191.12 g/mol.
Where can I buy o-Tolylbiguanide?
You can request a quote for o-Tolylbiguanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Tolylbiguanide?
Yes, KEHONG BIO provides custom synthesis services for o-Tolylbiguanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.