3,5-Dicarbamimidamido-4-acetamidobenzoic acid
TL;DR: 3,5-Dicarbamimidamido-4-acetamidobenzoic acid (CAS 190334-37-3) is a chemical compound with molecular formula C11H15N7O3 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-3,5-bis(diaminomethylideneamino)benzoic acid
Also Known As: Benzoic Acid deriv. 6b, Benzoic Acid Analog 6, 3,5-dicarbamimidamido-4-acetamidobenzoic acid, 4-acetamido-3,5-diguanidino-benzoic acid, 3,5-Diguanidino-4-acetylaminobenzoic acid
| Molecular Formula | C11H15N7O3 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.12363 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 190334-37-3 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1N=C(N)N)C(=O)O)N=C(N)N |
| InChIKey | NHWPAJFFXGKVDV-UHFFFAOYSA-N |
Product Overview
3,5-Dicarbamimidamido-4-acetamidobenzoic acid (CAS 190334-37-3), with molecular formula C11H15N7O3 and molecular weight 293.12 g/mol. IUPAC: 4-acetamido-3,5-bis(diaminomethylideneamino)benzoic acid.
Chemical Property Profile of 3,5-Dicarbamimidamido-4-acetamidobenzoic acid
Property Insights of 3,5-Dicarbamimidamido-4-acetamidobenzoic acid
The XLogP value of -2.4 indicates that 3,5-Dicarbamimidamido-4-acetamidobenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting 3,5-Dicarbamimidamido-4-acetamidobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dicarbamimidamido-4-acetamidobenzoic acid has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Dicarbamimidamido-4-acetamidobenzoic acid?
The CAS number of 3,5-Dicarbamimidamido-4-acetamidobenzoic acid is 190334-37-3.
What is the molecular formula of 3,5-Dicarbamimidamido-4-acetamidobenzoic acid?
The molecular formula of 3,5-Dicarbamimidamido-4-acetamidobenzoic acid is C11H15N7O3.
What is the molecular weight of 3,5-Dicarbamimidamido-4-acetamidobenzoic acid?
The molecular weight of 3,5-Dicarbamimidamido-4-acetamidobenzoic acid is 293.12 g/mol.
Where can I buy 3,5-Dicarbamimidamido-4-acetamidobenzoic acid?
You can request a quote for 3,5-Dicarbamimidamido-4-acetamidobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dicarbamimidamido-4-acetamidobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dicarbamimidamido-4-acetamidobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.