(3,4-Dihydroxyphenylamino)-2-imidazoline
TL;DR: (3,4-Dihydroxyphenylamino)-2-imidazoline (CAS 79458-27-8) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzene-1,2-diol
Also Known As: -2-imidazoline, (3,4-dihydroxyphenylamino)-2-imidazoline, 2-(3,4-Dihydroxyphenylimino)imidazolidine, ST 1943, SID:99222699
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 79458-27-8 |
|---|---|
| SMILES | C1CN=C(N1)NC2=CC(=C(C=C2)O)O |
| InChIKey | XSOORMTWBMMJSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,4-Dihydroxyphenylamino)-2-imidazoline (CAS 79458-27-8), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzene-1,2-diol.
Chemical Property Profile of (3,4-Dihydroxyphenylamino)-2-imidazoline
Property Insights of (3,4-Dihydroxyphenylamino)-2-imidazoline
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-Dihydroxyphenylamino)-2-imidazoline. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-Dihydroxyphenylamino)-2-imidazoline. Following Lipinski's Rule of Five, (3,4-Dihydroxyphenylamino)-2-imidazoline has 4 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 (3,4-Dihydroxyphenylamino)-2-imidazoline?
The CAS number of (3,4-Dihydroxyphenylamino)-2-imidazoline is 79458-27-8.
What is the molecular formula of (3,4-Dihydroxyphenylamino)-2-imidazoline?
The molecular formula of (3,4-Dihydroxyphenylamino)-2-imidazoline is C9H11N3O2.
What is the molecular weight of (3,4-Dihydroxyphenylamino)-2-imidazoline?
The molecular weight of (3,4-Dihydroxyphenylamino)-2-imidazoline is 193.09 g/mol.
Where can I buy (3,4-Dihydroxyphenylamino)-2-imidazoline?
You can request a quote for (3,4-Dihydroxyphenylamino)-2-imidazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Dihydroxyphenylamino)-2-imidazoline?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dihydroxyphenylamino)-2-imidazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.