2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol
TL;DR: 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol (CAS 57706-74-8) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylamino)ethanol
Also Known As: 2-(1H-Benzimidazol-2-ylamino)ethanol, 2-((1H-Benzo[d]imidazol-2-yl)amino)ethanol, 2-(1H-Benzoimidazol-2-ylamino)-ethanol, Cyclohexanamine,N-octylidene, IFLab1_004792
| Molecular Formula | C9H11N3O |
|---|---|
| Molecular Weight | 177.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.09021 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 57706-74-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)NCCO |
| InChIKey | FGPOQZOBPMSSAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol (CAS 57706-74-8), with molecular formula C9H11N3O and molecular weight 177.09 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylamino)ethanol.
Chemical Property Profile of 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol
Property Insights of 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol. Following Lipinski's Rule of Five, 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol 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-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol?
The CAS number of 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol is 57706-74-8.
What is the molecular formula of 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol?
The molecular formula of 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol is C9H11N3O.
What is the molecular weight of 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol?
The molecular weight of 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol is 177.09 g/mol.
Where can I buy 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol?
You can request a quote for 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.