1,3-Diphenylguanidinium phthalate
TL;DR: 1,3-Diphenylguanidinium phthalate (CAS 118-99-0) is a chemical compound with molecular formula C34H32N6O4 and molecular weight 588.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1,2-diphenylguanidine);phthalic acid
Also Known As: 1,3-Diphenylguanidinium phthalate, 4,6-dinitro-o-isopropylphenol, 1,2-diphenylguanidine;phthalic acid, 1,2-diphenylguanidine; phthalic acid, bis[n-(n-phenylcarbamimidoyl)anilinium] phthalate
| Molecular Formula | C34H32N6O4 |
|---|---|
| Molecular Weight | 588.25 g/mol |
| LogP | 6.57 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.2485 |
| Heavy Atoms | 44 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 118-99-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N.C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| InChIKey | KFXKTRNHRONVKY-UHFFFAOYSA-N |
Product Overview
1,3-Diphenylguanidinium phthalate (CAS 118-99-0), with molecular formula C34H32N6O4 and molecular weight 588.25 g/mol. IUPAC: bis(1,2-diphenylguanidine);phthalic acid.
Chemical Property Profile of 1,3-Diphenylguanidinium phthalate
Property Insights of 1,3-Diphenylguanidinium phthalate
The XLogP value of 6.57 indicates that 1,3-Diphenylguanidinium phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.0 Ų indicates high polarity, suggesting 1,3-Diphenylguanidinium phthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Diphenylguanidinium phthalate has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Diphenylguanidinium phthalate?
The CAS number of 1,3-Diphenylguanidinium phthalate is 118-99-0.
What is the molecular formula of 1,3-Diphenylguanidinium phthalate?
The molecular formula of 1,3-Diphenylguanidinium phthalate is C34H32N6O4.
What is the molecular weight of 1,3-Diphenylguanidinium phthalate?
The molecular weight of 1,3-Diphenylguanidinium phthalate is 588.25 g/mol.
Where can I buy 1,3-Diphenylguanidinium phthalate?
You can request a quote for 1,3-Diphenylguanidinium phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diphenylguanidinium phthalate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diphenylguanidinium phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.