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2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol
TL;DR: 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol (CAS 10058-87-4) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(1,3-benzodioxol-5-yl)ethanol
Also Known As: 2-amino-1-benzo[1,3]dioxol-5-yl-ethanol, 2-amino-1-(1,3-benzodioxol-5-yl)ethanol, 1460AJ, 1-(1,3-benzodioxol-5-yl)-2-aminoethanol, 2-amino-1-(2H-1,3-benzodioxol-5-yl)ethan-1-ol
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 10058-87-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CN)O |
| InChIKey | NFDJYUZZSPJWLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol (CAS 10058-87-4), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 2-amino-1-(1,3-benzodioxol-5-yl)ethanol.
Chemical Property Profile of 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol
Property Insights of 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol. Following Lipinski's Rule of Five, 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol has 2 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 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol?
The CAS number of 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol is 10058-87-4.
What is the molecular formula of 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol?
The molecular formula of 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol is C9H11NO3.
What is the molecular weight of 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol?
The molecular weight of 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol is 181.07 g/mol.
Where can I buy 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol?
You can request a quote for 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.