苯基双胍
TL;DR: 苯基双胍 (CAS 102-02-3) is a chemical compound with molecular formula C8H11N5 and molecular weight 177.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基双胍
1-(diaminomethylidene)-2-phenylguanidine
Also Known As: phenylbiguanide, 1-Phenylbiguanide, Phenyl biguanide, Phenyldiguanide, phenyl diguanide
| Molecular Formula | C8H11N5 |
|---|---|
| Molecular Weight | 177.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.10144 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
| Solubility | >26.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 102-02-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C(N)N=C(N)N |
| InChIKey | CUQCMXFWIMOWRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基双胍 (CAS 102-02-3), with molecular formula C8H11N5 and molecular weight 177.10 g/mol. IUPAC: 1-(diaminomethylidene)-2-phenylguanidine.
Chemical Property Profile of 苯基双胍
Property Insights of 苯基双胍
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯基双胍. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯基双胍. 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
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 177.10 g/mol.
Where can I buy Phenylbiguanide?
You can request a quote for Phenylbiguanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylbiguanide?
Yes, KEHONG BIO provides custom synthesis services for Phenylbiguanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.