1-(1,3-Benzoxazol-2-yl)guanidine
TL;DR: 1-(1,3-Benzoxazol-2-yl)guanidine (CAS 51-31-0) is a chemical compound with molecular formula C8H8N4O and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-yl)guanidine
Also Known As: N-1,3-benzoxazol-2-ylguanidine, Benzoxazolylguanidine, N-Benzooxazol-2-yl-guanidine, 2-(1,3-benzoxazol-2-yl)guanidine, 2-Benzoxazolylguanidine
| Molecular Formula | C8H8N4O |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.06981 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 51-31-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)N=C(N)N |
| InChIKey | FNGZREDJXWXRBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,3-Benzoxazol-2-yl)guanidine (CAS 51-31-0), with molecular formula C8H8N4O and molecular weight 176.07 g/mol. IUPAC: 2-(1,3-benzoxazol-2-yl)guanidine.
Chemical Property Profile of 1-(1,3-Benzoxazol-2-yl)guanidine
Property Insights of 1-(1,3-Benzoxazol-2-yl)guanidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzoxazol-2-yl)guanidine. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzoxazol-2-yl)guanidine. Following Lipinski's Rule of Five, 1-(1,3-Benzoxazol-2-yl)guanidine has 2 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 1-(1,3-Benzoxazol-2-yl)guanidine?
The CAS number of 1-(1,3-Benzoxazol-2-yl)guanidine is 51-31-0.
What is the molecular formula of 1-(1,3-Benzoxazol-2-yl)guanidine?
The molecular formula of 1-(1,3-Benzoxazol-2-yl)guanidine is C8H8N4O.
What is the molecular weight of 1-(1,3-Benzoxazol-2-yl)guanidine?
The molecular weight of 1-(1,3-Benzoxazol-2-yl)guanidine is 176.07 g/mol.
Where can I buy 1-(1,3-Benzoxazol-2-yl)guanidine?
You can request a quote for 1-(1,3-Benzoxazol-2-yl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzoxazol-2-yl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzoxazol-2-yl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.