2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine
TL;DR: 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine (CAS 180741-06-4) is a chemical compound with molecular formula C12H15N5O2 and molecular weight 261.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-diacetylphenyl)-1-(diaminomethylidene)guanidine
Also Known As: 2-(3,5-diacetylphenyl)-1-(diaminomethylidene)guanidine, N-(3,5-Diacetylphenyl)biquanide hydrochloride, 1-carbamimidoyl-3-(3,5-diacetylphenyl)guanidine, N''-[N'-(3,5-Diacetylphenyl)carbamimidoyl]guanidine, Imidodicarbonimidic diamide, N-(3,5-diacetylphenyl)-, monohydrochloride
| Molecular Formula | C12H15N5O2 |
|---|---|
| Molecular Weight | 261.12 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1226 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 180741-06-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC(=C1)N=C(N)N=C(N)N)C(=O)C |
| InChIKey | UBFXZEUJVQCKPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine (CAS 180741-06-4), with molecular formula C12H15N5O2 and molecular weight 261.12 g/mol. IUPAC: 2-(3,5-diacetylphenyl)-1-(diaminomethylidene)guanidine.
Chemical Property Profile of 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine
Property Insights of 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine
The XLogP value of -0.7 indicates that 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine. Following Lipinski's Rule of Five, 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine has 3 hydrogen bond donor(s) and 3 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 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine?
The CAS number of 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine is 180741-06-4.
What is the molecular formula of 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine?
The molecular formula of 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine is C12H15N5O2.
What is the molecular weight of 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine?
The molecular weight of 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine is 261.12 g/mol.
Where can I buy 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine?
You can request a quote for 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Diacetylphenyl)-1-(diaminomethylidene)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.