1,4-phenylene bis(biguanide)
TL;DR: 1,4-phenylene bis(biguanide) (CAS 42197-95-5) is a chemical compound with molecular formula C10H16N10 and molecular weight 276.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-1-(diaminomethylidene)guanidine
Also Known As: 1,4-phenylene bis(biguanide), 1,1 -(1,4-Phenylene)bis(biguanide), J2.259.023E, 2,2 -(1,4-Phenylene)bis[1-(diaminomethylene)guanidine], 2-[N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]carbamimidoyl]guanidine
| Molecular Formula | C10H16N10 |
|---|---|
| Molecular Weight | 276.16 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.15594 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 42197-95-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C(N)N=C(N)N)N=C(N)N=C(N)N |
| InChIKey | MXCDEYSVZIBQDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-phenylene bis(biguanide) (CAS 42197-95-5), with molecular formula C10H16N10 and molecular weight 276.16 g/mol. IUPAC: 2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-1-(diaminomethylidene)guanidine.
Chemical Property Profile of 1,4-phenylene bis(biguanide)
Property Insights of 1,4-phenylene bis(biguanide)
The XLogP value of -2.1 indicates that 1,4-phenylene bis(biguanide) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.0 Ų indicates high polarity, suggesting 1,4-phenylene bis(biguanide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-phenylene bis(biguanide) has 6 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-phenylene bis(biguanide)?
The CAS number of 1,4-phenylene bis(biguanide) is 42197-95-5.
What is the molecular formula of 1,4-phenylene bis(biguanide)?
The molecular formula of 1,4-phenylene bis(biguanide) is C10H16N10.
What is the molecular weight of 1,4-phenylene bis(biguanide)?
The molecular weight of 1,4-phenylene bis(biguanide) is 276.16 g/mol.
Where can I buy 1,4-phenylene bis(biguanide)?
You can request a quote for 1,4-phenylene bis(biguanide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-phenylene bis(biguanide)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-phenylene bis(biguanide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.