2-Benzoxazolamine, N-ethyl-
TL;DR: 2-Benzoxazolamine, N-ethyl- (CAS 21326-91-0) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-1,3-benzoxazol-2-amine
Also Known As: 2- benzoxazole, 2-Benzoxazolamine, N-ethyl-, 2-(Ethylamino)benzoxazole, N-Ethyl-1,3-benzoxazol-2-amine, Benzoxazole, 2-(ethylamino)-
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 21326-91-0 |
|---|---|
| SMILES | CCNC1=NC2=CC=CC=C2O1 |
| InChIKey | JMILZRZKPMRTRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoxazolamine, N-ethyl- (CAS 21326-91-0), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: N-ethyl-1,3-benzoxazol-2-amine.
Chemical Property Profile of 2-Benzoxazolamine, N-ethyl-
Property Insights of 2-Benzoxazolamine, N-ethyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolamine, N-ethyl-. With a topological polar surface area (TPSA) of 38.1 Ų, 2-Benzoxazolamine, N-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolamine, N-ethyl- has 1 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-Benzoxazolamine, N-ethyl-?
The CAS number of 2-Benzoxazolamine, N-ethyl- is 21326-91-0.
What is the molecular formula of 2-Benzoxazolamine, N-ethyl-?
The molecular formula of 2-Benzoxazolamine, N-ethyl- is C9H10N2O.
What is the molecular weight of 2-Benzoxazolamine, N-ethyl-?
The molecular weight of 2-Benzoxazolamine, N-ethyl- is 162.08 g/mol.
Where can I buy 2-Benzoxazolamine, N-ethyl-?
You can request a quote for 2-Benzoxazolamine, N-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolamine, N-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolamine, N-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.