Phenylbiguanide
TL;DR: Phenylbiguanide (CAS 102-02-3) is a chemical compound with molecular formula C8H11N5 and molecular weight 177.10144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(diaminomethylidene)-2-phenylguanidine
Also Known As: phenylbiguanide, 1-Phenylbiguanide, Phenyl biguanide, Phenyldiguanide, phenyl diguanide
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11N5 |
| Molecular Weight | 177.10144 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.10144 Da |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
| Solubility | >26.6 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC=C(C=C1)N=C(N)N=C(N)N |
| InChIKey | CUQCMXFWIMOWRP-UHFFFAOYSA-N |
Product Description
Applications: Phenylbiguanide is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Phenylbiguanide is a pharmaceutical intermediate identified by CAS number 102-02-3 and the molecular formula C8H11N5 and a molecular weight of 177.1 g/mol. Physically, the compound has a solubility: >26.6 [ug/mL] (The mean of the results at pH 7.4). Synonyms include phenylbiguanide and 1-Phenylbiguanide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phenylbiguanide
Property Insights of Phenylbiguanide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylbiguanide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylbiguanide. Following Lipinski's Rule of Five, Phenylbiguanide 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
What is the CAS number of Phenylbiguanide?
The CAS number of Phenylbiguanide is 102-02-3.
What is the molecular formula of Phenylbiguanide?
The molecular formula of Phenylbiguanide is C8H11N5.
What is the molecular weight of Phenylbiguanide?
The molecular weight of Phenylbiguanide is 177.10144 g/mol.
What are the applications of Phenylbiguanide?
Phenylbiguanide is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale),...
Where can I buy Phenylbiguanide?
You can request a quote for Phenylbiguanide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylbiguanide?
Yes, CoreyChem provides custom synthesis services for Phenylbiguanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.