![Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)- structure](/static/products/199/199535-58-5.png)
Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-
TL;DR: Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)- (CAS 199535-58-5) is a chemical compound with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diaminomethylideneamino)-4-(2-hydroxyethyl)benzoic acid
Also Known As: 3-guanidino-4-(2-hydroxyethyl)benzoic acid, Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-, 3-(diaminomethylideneamino)-4-(2-hydroxyethyl)benzoic acid
| Molecular Formula | C10H13N3O3 |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.09569 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 199535-58-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)N=C(N)N)CCO |
| InChIKey | XAOFJRFYOBZCFY-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)- (CAS 199535-58-5), with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol. IUPAC: 3-(diaminomethylideneamino)-4-(2-hydroxyethyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-
Property Insights of Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-
The XLogP value of -0.5 indicates that Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-. Following Lipinski's Rule of Five, Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)- has 4 hydrogen bond donor(s) and 4 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 Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-?
The CAS number of Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)- is 199535-58-5.
What is the molecular formula of Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-?
The molecular formula of Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)- is C10H13N3O3.
What is the molecular weight of Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-?
The molecular weight of Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)- is 223.10 g/mol.
Where can I buy Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-?
You can request a quote for Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.